atrazine (CHEBI:15930)

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ChEBI Name	atrazine

ChEBI ID	CHEBI:15930

Definition	A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6 while one of hydrogens of each amino group is replaced respectively by an ethyl and a propan-2-yl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:2916, CHEBI:49479, CHEBI:13865, CHEBI:22672

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Formula

C8H14ClN5

Net Charge

Average Mass

215.68316

Monoisotopic Mass

215.09377

InChI

InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)

InChIKey

MXWJVTOOROXGIU-UHFFFAOYSA-N

SMILES

CCNc1nc(Cl)nc(NC(C)C)n1

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

Application(s):	herbicide A substance used to destroy plant pests.

ChEBI Ontology
Outgoing	atrazine (CHEBI:15930) has functional parent 6-chloro-1,3,5-triazine-2,4-diamine (CHEBI:27726) atrazine (CHEBI:15930) has role environmental contaminant (CHEBI:78298) atrazine (CHEBI:15930) has role herbicide (CHEBI:24527) atrazine (CHEBI:15930) has role xenobiotic (CHEBI:35703) atrazine (CHEBI:15930) is a chloro-1,3,5-triazine (CHEBI:38168) atrazine (CHEBI:15930) is a diamino-1,3,5-triazine (CHEBI:38170)

Incoming	4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol (CHEBI:18316) has functional parent atrazine (CHEBI:15930)

IUPAC Name

6-chloro-N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine

Synonyms	Sources
2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine	IUBMB
2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine	ChemIDplus
2-chloro-4-ethylamino-6-isopropylamino-s-triazine	ChemIDplus
2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE	PDBeChem
2-ethylamino-4-isopropylamino-6-chloro-s-triazine	NIST Chemistry WebBook
6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine	NIST Chemistry WebBook
6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine	IUPAC
Atrazine	KEGG COMPOUND
atrazine	UniProt

Last Modified

25 February 2016