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Quick Search ZINC ID or SMILES

Synonyms (15)
Vendors (33)
Annotations (22)
Representations (1)
Notes (7)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (1)

ZINC03078958

3078958

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
November 6^th, 2004	14	Yes

Popular Name: Atrazine Atrazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 102029-43-6 , 163165-75-1 , 1912-24-9 , 93616-39-8 , AC-12050 , [1912-24-9]

Other Names:

Chloro-3-ethylamino-5-isopropylamino-2,4,6-triazine; 1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-; 1-Chloro-3-ethylamino-5-isopropylamino-2,4,6-triazine; 1-Chloro-3-ethylamino-5-isopropylamino-s-triazine; 2-Aethylamino-4-chlor-6-isopr

1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-; 1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)- (9CI); 1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylethyl)-; 1-Chloro-3-ethylamino-5-isopropylamino-2,4,6-triaz

1-Chloro-3-(ethylamino)-5-(isopropylamino)-2,4,6-triazine;1-Chloro-3-(ethylamino)-5-(isopropylamino)-S-triazine;2-Aethylamino-4-chlor-6-isopropylamino-1,3,5-triazin;2-Chloro-4-(2-propylamino)-6-(ethylamino)-S-triazine;2-Chloro-4-(ethylamino)-6-(isopropyla

1912-24-9; 2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine; 2-chloro-4-ethyl-amino-6-isopropylamino-s-triazine; atrazine

1912-24-9; Atrazine; C06551

2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO -1,3,5-TRIAZINE

2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE; 2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine; 2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine; 2-chloro-4-ethylamino-6-isopropylamino-s-triazine; 2-ethylamino-4-isopropylamino-6-chl

6-Chloro-N4-ethyl-N2-isopropyl-1,3,5-triazine-2,4-diamine

ATRAZINE; [102029-43-6]

BRD-K45535217-001-02-2

CHEBI:49479; CHEBI:13865; CHEBI:22672; CHEBI:2916

SMILES:

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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)	2.55	7.19	-5.05	2	5	0	63	215.688	4	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
MP	175	TCI
M.P	175 °C	Indofine
ALOGPS_SOLUBILITY	2.75e-02 g/l	DrugBank-experimental
UniProt Database Links	AB1B_ARATH; MEDH_RHOER; PSBA1_ACAM1; PSBA1_ANAVT; PSBA1_GLOVI; PSBA1_NOSS1; PSBA1_SYNE7; PSBA1_SYNEL; PSBA1_SYNJA; PSBA1_SYNJB; PSBA1_SYNP2; PSBA1_SYNP6; PSBA1_SYNPW; PSBA1_SYNPX; PSBA1_SYNR3; PSBA1_SYNS3; PSBA1_SYNS9; PSBA1_SYNSC; PSBA1_SYNY3; PSBA1_THEE	ChEBI
APPEARANCE	colorless solid	Indofine
Therapy	herbicide	SMDC MicroSource
Patent Database Links	US2002016264; US2002058697; US2006069132; WO2005030736	ChEBI

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Analogs ( Draw Identity 99% 90% 80% 70% )

5178407

Synonyms (15)
Vendors (33)
Annotations (22)
Representations (1)
Notes (7)
Targets (0)
Clustered (0)
Reactome (0)
Rings (0)
Analogs (1)