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ZINC Item

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65311710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methoxyphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone (3-methoxyphenyl)-[4-(5-methyl-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.99	11.38	-23.54	0	8	0	76	352.398	3	↓ MOL2 SDF SMILES Flexibase

65311715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(dimethylamino)phenyl]-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone [3-(dimethylamino)phenyl]-[4-(5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.04	12.47	-22.23	0	8	0	70	365.441	3	↓ MOL2 SDF SMILES Flexibase

65311716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-dimethylaminophenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone (4-dimethylaminophenyl)-[4-(5-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.06	12.46	-22.15	0	8	0	70	365.441	3	↓ MOL2 SDF SMILES Flexibase

65311717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dimethylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone (3,4-dimethylphenyl)-[4-(5-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.79	13.31	-22	0	7	0	67	350.426	2	↓ MOL2 SDF SMILES Flexibase

65311723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(m-tolyl)methanone [4-(5-methyl-[1,2,4]triazolo[4,3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	12.75	-21.98	0	7	0	67	336.399	2	↓ MOL2 SDF SMILES Flexibase

65311725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methoxyphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone (4-methoxyphenyl)-[4-(5-methyl-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.02	11.39	-22.11	0	8	0	76	352.398	3	↓ MOL2 SDF SMILES Flexibase

65311726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone (4-fluorophenyl)-[4-(5-methyl-[1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.12	12.15	-21.32	0	7	0	67	340.362	2	↓ MOL2 SDF SMILES Flexibase

65311729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methoxyphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone (2-methoxyphenyl)-[4-(5-methyl-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.52	11.59	-28.48	0	8	0	76	352.398	3	↓ MOL2 SDF SMILES Flexibase

65311737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile 4-[4-(5-methyl-[1,2,4]triazolo[4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.72	12.48	-23.92	0	8	0	90	347.382	2	↓ MOL2 SDF SMILES Flexibase

65311738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-fluorophenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone (3-fluorophenyl)-[4-(5-methyl-[1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.10	12.15	-22.65	0	7	0	67	340.362	2	↓ MOL2 SDF SMILES Flexibase

65311740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethoxyphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone (4-ethoxyphenyl)-[4-(5-methyl-[1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	12.34	-22.2	0	8	0	76	366.425	4	↓ MOL2 SDF SMILES Flexibase

65311749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-fluoro-4-methyl-phenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanon (3-fluoro-4-methyl-phenyl)-[4-(5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.50	12.8	-23.11	0	7	0	67	354.389	2	↓ MOL2 SDF SMILES Flexibase

65311758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(p-tolyl)methanone [4-(5-methyl-[1,2,4]triazolo[4,3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.41	12.77	-21.75	0	7	0	67	336.399	2	↓ MOL2 SDF SMILES Flexibase

65311760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-phenyl-methanone [4-(5-methyl-[1,2,4]triazolo[4,3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.96	12.08	-21.6	0	7	0	67	322.372	2	↓ MOL2 SDF SMILES Flexibase

65311767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone [4-(3,5-dimethyl-[1,2,4]triazolo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.08	11.17	-24.49	0	8	0	76	366.425	3	↓ MOL2 SDF SMILES Flexibase

65311774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dimethylphenyl)-[4-(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone (3,4-dimethylphenyl)-[4-(3,5-dim…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.87	13.04	-23.05	0	7	0	67	364.453	2	↓ MOL2 SDF SMILES Flexibase

65311781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(m-tolyl)methanone [4-(3,5-dimethyl-[1,2,4]triazolo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.47	12.49	-23.05	0	7	0	67	350.426	2	↓ MOL2 SDF SMILES Flexibase

65311783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone [4-(3,5-dimethyl-[1,2,4]triazolo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.11	11.17	-23.17	0	8	0	76	366.425	3	↓ MOL2 SDF SMILES Flexibase

65311786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone [4-(3,5-dimethyl-[1,2,4]triazolo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.61	11.38	-29.63	0	8	0	76	366.425	3	↓ MOL2 SDF SMILES Flexibase

65311793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile 4-[4-(3,5-dimethyl-[1,2,4]triazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.80	12.27	-24.93	0	8	0	90	361.409	2	↓ MOL2 SDF SMILES Flexibase

65311794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(3-fluorophenyl)methanone [4-(3,5-dimethyl-[1,2,4]triazolo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.19	11.94	-23.62	0	7	0	67	354.389	2	↓ MOL2 SDF SMILES Flexibase

65311803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methyl-phenyl)meth [4-(3,5-dimethyl-[1,2,4]triazolo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.59	12.53	-24.18	0	7	0	67	368.416	2	↓ MOL2 SDF SMILES Flexibase

65311813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(p-tolyl)methanone [4-(3,5-dimethyl-[1,2,4]triazolo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.50	12.5	-22.86	0	7	0	67	350.426	2	↓ MOL2 SDF SMILES Flexibase

65311815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-phenyl-methanone [4-(3,5-dimethyl-[1,2,4]triazolo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	11.87	-22.59	0	7	0	67	336.399	2	↓ MOL2 SDF SMILES Flexibase

65311839

Analogs

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Popular Name: [4-(3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(m-tolyl)methanone [4-(3-ethyl-5-methyl-[1,2,4]tria…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	13.04	-22.15	0	7	0	67	364.453	3	↓ MOL2 SDF SMILES Flexibase

65311842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-fluorophenyl)methanone [4-(3-ethyl-5-methyl-[1,2,4]tria…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	12.44	-21.9	0	7	0	67	368.416	3	↓ MOL2 SDF SMILES Flexibase

65311867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(p-tolyl)methanone [4-(3-ethyl-5-methyl-[1,2,4]tria…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	13.05	-22.01	0	7	0	67	364.453	3	↓ MOL2 SDF SMILES Flexibase

65311869

Analogs

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Popular Name: [4-(3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-phenyl-methanone [4-(3-ethyl-5-methyl-[1,2,4]tria…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	12.37	-22.12	0	7	0	67	350.426	3	↓ MOL2 SDF SMILES Flexibase

65311880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dimethylphenyl)-[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone (3,4-dimethylphenyl)-[4-(5-ethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	14.05	-20.61	0	7	0	67	364.453	3	↓ MOL2 SDF SMILES Flexibase

65311886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone [4-(5-ethyl-[1,2,4]triazolo[4,3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.59	12.14	-21.18	0	8	0	76	366.425	4	↓ MOL2 SDF SMILES Flexibase

65311887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-fluorophenyl)methanone [4-(5-ethyl-[1,2,4]triazolo[4,3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.70	12.92	-20.36	0	7	0	67	354.389	3	↓ MOL2 SDF SMILES Flexibase

65311893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile 4-[4-(5-ethyl-[1,2,4]triazolo[4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.29	13.24	-22.97	0	8	0	90	361.409	3	↓ MOL2 SDF SMILES Flexibase

65311896

Analogs

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Popular Name: 3-[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazine-1-carbonyl]benzonitrile 3-[4-(5-ethyl-[1,2,4]triazolo[4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.26	13.23	-24.21	0	8	0	90	361.409	3	↓ MOL2 SDF SMILES Flexibase

65311902

Analogs

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Popular Name: (4-ethylphenyl)-[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone (4-ethylphenyl)-[4-(5-ethyl-[1,2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.45	14.23	-20.5	0	7	0	67	364.453	4	↓ MOL2 SDF SMILES Flexibase

65311905

Analogs

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Popular Name: [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methyl-phenyl)methanone [4-(5-ethyl-[1,2,4]triazolo[4,3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	13.56	-21.6	0	7	0	67	368.416	3	↓ MOL2 SDF SMILES Flexibase

65311912

Analogs

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Popular Name: [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(p-tolyl)methanone [4-(5-ethyl-[1,2,4]triazolo[4,3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.98	13.52	-20.43	0	7	0	67	350.426	3	↓ MOL2 SDF SMILES Flexibase

65311914

Analogs

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Popular Name: [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-phenyl-methanone [4-(5-ethyl-[1,2,4]triazolo[4,3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.53	12.85	-20.59	0	7	0	67	336.399	3	↓ MOL2 SDF SMILES Flexibase

65311926

Analogs

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Popular Name: [4-(5-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(p-tolyl)methanone [4-(5-ethyl-3-methyl-[1,2,4]tria…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	13.16	-21.7	0	7	0	67	364.453	3	↓ MOL2 SDF SMILES Flexibase

65311928

Analogs

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Popular Name: [4-(5-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-phenyl-methanone [4-(5-ethyl-3-methyl-[1,2,4]tria…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	12.48	-21.95	0	7	0	67	350.426	3	↓ MOL2 SDF SMILES Flexibase

65311946

Analogs

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Popular Name: [4-(5-isopropyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(m-tolyl)methanone [4-(5-isopropyl-[1,2,4]triazolo[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.44	13.27	-20.06	0	7	0	67	364.453	3	↓ MOL2 SDF SMILES Flexibase

65311975

Analogs

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Popular Name: [4-(5-isopropyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(p-tolyl)methanone [4-(5-isopropyl-[1,2,4]triazolo[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	13.28	-19.77	0	7	0	67	364.453	3	↓ MOL2 SDF SMILES Flexibase

65311977

Analogs

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Popular Name: [4-(5-isopropyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-phenyl-methanone [4-(5-isopropyl-[1,2,4]triazolo[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	12.66	-19.66	0	7	0	67	350.426	3	↓ MOL2 SDF SMILES Flexibase

65312026

Analogs

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Popular Name: (4-fluorophenyl)-[4-(5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone (4-fluorophenyl)-[4-(5-propyl-[1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	13.7	-19.89	0	7	0	67	368.416	4	↓ MOL2 SDF SMILES Flexibase

65312114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(p-tolyl)methanone [4-(5-propyl-[1,2,4]triazolo[4,3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	14.3	-20	0	7	0	67	364.453	4	↓ MOL2 SDF SMILES Flexibase

65312121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl-[4-(5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone phenyl-[4-(5-propyl-[1,2,4]triaz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.04	13.63	-20.17	0	7	0	67	350.426	4	↓ MOL2 SDF SMILES Flexibase

65312122

Analogs

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Popular Name: [4-(3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-phenyl-methanone [4-(3-methyl-5-propyl-[1,2,4]tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.12	13.24	-21.36	0	7	0	67	364.453	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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