CHEBI:15930 - atrazine

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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 0
Average Mass 215.68316
Monoisotopic Mass 215.094
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.
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.
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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
Database Links Databases
Atrazine Wikipedia
ATRAZINE MetaCyc
ATZ PDBeChem
c0002 UM-BBD
C06551 KEGG COMPOUND
DB07392 DrugBank
HMDB41830 HMDB
LSM-18990 LINCS
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Registry Numbers Types Sources
1912-24-9 CAS Registry Number KEGG COMPOUND
1912-24-9 CAS Registry Number ChemIDplus
1912-24-9 CAS Registry Number NIST Chemistry WebBook
612020 Beilstein Registry Number Beilstein
612020 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24211529 PubMed citation Europe PMC
24239819 PubMed citation Europe PMC
24246238 PubMed citation Europe PMC
Last Modified
25 February 2016