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Analogs

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Popular Name: 3-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]benzamide 3-[(3-methyl-6,8-dihydro-5H-[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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.49 3.27 -18.67 2 6 0 77 271.324 3 ↓
Lo Low (pH 4.5-6) -0.49 5.51 -59.12 3 6 1 78 272.332 3 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]benzamide N,N-dimethyl-3-[(3-methyl-6,8-di…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.34 6.34 -19.39 0 6 0 54 299.378 3 ↓
Lo Low (pH 4.5-6) -0.34 8.58 -60.05 1 6 1 55 300.386 3 ↓

Analogs

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Popular Name: 3-methyl-7-[(2,4,6-trimethylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 3-methyl-7-[(2,4,6-trimethylphen…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.92 7.94 -13.1 0 4 0 34 270.38 2 ↓
Mid Mid (pH 6-8) 1.92 10.2 -53.07 1 4 1 35 271.388 2 ↓

Analogs

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Popular Name: 4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]benzamide 4-[(3-methyl-6,8-dihydro-5H-[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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.47 3.28 -20.84 2 6 0 77 271.324 3 ↓
Lo Low (pH 4.5-6) -0.47 5.52 -67.75 3 6 1 78 272.332 3 ↓

Analogs

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Popular Name: 7-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(1S)-1-(2-fluorophenyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.39 7.75 -11.18 0 4 0 34 260.316 2 ↓
Lo Low (pH 4.5-6) 1.39 9.3 -47.84 1 4 1 35 261.324 2 ↓

Analogs

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Popular Name: 7-[(1R)-1-(2-fluorophenyl)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(1R)-1-(2-fluorophenyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.39 7.54 -11.72 0 4 0 34 260.316 2 ↓
Lo Low (pH 4.5-6) 1.39 9.38 -48.31 1 4 1 35 261.324 2 ↓

Analogs

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Popular Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(2,5-dimethylphenyl)methyl]-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 7.74 -12.95 0 4 0 34 256.353 2 ↓
Mid Mid (pH 6-8) 1.54 10.05 -53.95 1 4 1 35 257.361 2 ↓

Analogs

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Popular Name: 7-[(2-bromo-5-fluoro-phenyl)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(2-bromo-5-fluoro-phenyl)meth…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.62 7.11 -12.61 0 4 0 34 325.185 2 ↓
Lo Low (pH 4.5-6) 1.62 9.41 -51.6 1 4 1 35 326.193 2 ↓

Analogs

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Popular Name: 7-[(3,4-dichlorophenyl)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(3,4-dichlorophenyl)methyl]-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.00 7.46 -14.53 0 4 0 34 297.189 2 ↓
Lo Low (pH 4.5-6) 2.00 9.71 -62.66 1 4 1 35 298.197 2 ↓

Analogs

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Popular Name: 3-methyl-7-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 3-methyl-7-[[4-(2,2,2-trifluoroe…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.70 7.18 -16.11 0 5 0 43 326.322 5 ↓
Mid Mid (pH 6-8) 1.70 9.43 -61.28 1 5 1 44 327.33 5 ↓

Analogs

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Popular Name: 4-fluoro-3-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]benzonitrile 4-fluoro-3-[(3-methyl-6,8-dihydr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.56 6.72 -16.36 0 5 0 58 271.299 2 ↓
Lo Low (pH 4.5-6) 0.56 8.96 -60.75 1 5 1 59 272.307 2 ↓

Analogs

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Popular Name: 3-methyl-7-(o-tolylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 3-methyl-7-(o-tolylmethyl)-6,8-d…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.12 7.52 -12.91 0 4 0 34 242.326 2 ↓
Mid Mid (pH 6-8) 1.12 9.43 -53.33 1 4 1 35 243.334 2 ↓

Analogs

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Popular Name: 7-[(2,6-dichlorophenyl)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(2,6-dichlorophenyl)methyl]-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.98 7.11 -12.25 0 4 0 34 297.189 2 ↓
Lo Low (pH 4.5-6) 1.98 9.36 -44.12 1 4 1 35 298.197 2 ↓

Analogs

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Popular Name: 7-[(1S)-1-(3-chloro-4-methoxy-phenyl)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(1S)-1-(3-chloro-4-methoxy-ph…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 7.21 -13.22 0 5 0 43 306.797 3 ↓
Mid Mid (pH 6-8) 1.94 9.24 -53.73 1 5 1 44 307.805 3 ↓

Analogs

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Popular Name: 7-[(1R)-1-(3-chloro-4-methoxy-phenyl)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(1R)-1-(3-chloro-4-methoxy-ph…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 7.3 -14.06 0 5 0 43 306.797 3 ↓
Mid Mid (pH 6-8) 1.94 9.21 -55.99 1 5 1 44 307.805 3 ↓

Analogs

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Popular Name: 3-methyl-7-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 3-methyl-7-[(1S)-1-[4-(trifluoro…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 8.36 -11.73 0 4 0 34 310.323 3 ↓
Lo Low (pH 4.5-6) 2.17 10.39 -54.81 1 4 1 35 311.331 3 ↓

Analogs

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Popular Name: 3-methyl-7-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 3-methyl-7-[(1R)-1-[4-(trifluoro…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 8.44 -13.61 0 4 0 34 310.323 3 ↓
Lo Low (pH 4.5-6) 2.17 10.37 -57.45 1 4 1 35 311.331 3 ↓

Analogs

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Popular Name: 7-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(1S)-1-(2,4-difluorophenyl)et…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 7.82 -11.25 0 4 0 34 278.306 2 ↓
Lo Low (pH 4.5-6) 1.53 9.37 -52.46 1 4 1 35 279.314 2 ↓

Analogs

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Popular Name: 7-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(1R)-1-(2,4-difluorophenyl)et…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 7.59 -11.8 0 4 0 34 278.306 2 ↓
Lo Low (pH 4.5-6) 1.53 9.43 -53.09 1 4 1 35 279.314 2 ↓

Analogs

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Popular Name: 7-[(4-bromo-2-fluoro-phenyl)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(4-bromo-2-fluoro-phenyl)meth…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.62 7.19 -13.4 0 4 0 34 325.185 2 ↓
Lo Low (pH 4.5-6) 1.62 9.44 -56.05 1 4 1 35 326.193 2 ↓

Analogs

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Popular Name: 5-fluoro-2-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]benzonitrile 5-fluoro-2-[(3-methyl-6,8-dihydr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.56 6.84 -15.21 0 5 0 58 271.299 2 ↓

Analogs

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Popular Name: 7-[(2-methoxy-5-methyl-phenyl)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(2-methoxy-5-methyl-phenyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.15 6.57 -12.97 0 5 0 43 272.352 3 ↓
Mid Mid (pH 6-8) 1.15 8.83 -48.9 1 5 1 44 273.36 3 ↓

Analogs

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Popular Name: 7-[(1S)-1-(3-chloro-4-methoxy-phenyl)ethyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(1S)-1-(3-chloro-4-methoxy-ph…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 7.82 -12.92 0 5 0 43 320.824 4 ↓
Mid Mid (pH 6-8) 2.51 9.83 -53.77 1 5 1 44 321.832 4 ↓

Analogs

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Popular Name: 7-[(1R)-1-(3-chloro-4-methoxy-phenyl)ethyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(1R)-1-(3-chloro-4-methoxy-ph…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 7.9 -13.69 0 5 0 43 320.824 4 ↓
Mid Mid (pH 6-8) 2.51 9.81 -56.02 1 5 1 44 321.832 4 ↓

Analogs

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Popular Name: 7-[(1S)-1-(2-bromophenyl)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(1S)-1-(2-bromophenyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 8.2 -10.58 0 4 0 34 321.222 2 ↓
Lo Low (pH 4.5-6) 2.04 9.69 -46.7 1 4 1 35 322.23 2 ↓

Analogs

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Popular Name: 7-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[(1R)-1-(2-bromophenyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 7.96 -11.3 0 4 0 34 321.222 2 ↓
Lo Low (pH 4.5-6) 2.04 9.8 -47.26 1 4 1 35 322.23 2 ↓

Parameters Provided:

ring.id = 93450
filter.purchasability = annotated
page.format = targets
page.num = 1

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 93450 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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