cyanazine (CHEBI:38069)

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ChEBI Name	cyanazine

ChEBI ID	CHEBI:38069

Definition	A chloro-1,3,5-triazine that is 2-chloro-1,3,5-triazine substituted by an ethyl amino and a (2-cyanopropan-2-yl)amino group at positions 6 and 4 respectively.

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

Secondary ChEBI IDs	CHEBI:34658, CHEBI:23421

Supplier Information

Download	Molfile XML SDF

Formula

C9H13ClN6

Net Charge

Average Mass

240.69266

Monoisotopic Mass

240.08902

InChI

InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)

InChIKey

MZZBPDKVEFVLFF-UHFFFAOYSA-N

SMILES

CCNc1nc(Cl)nc(NC(C)(C)C#N)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	cyanazine (CHEBI:38069) has role environmental contaminant (CHEBI:78298) cyanazine (CHEBI:38069) has role herbicide (CHEBI:24527) cyanazine (CHEBI:38069) has role xenobiotic (CHEBI:35703) cyanazine (CHEBI:38069) is a 1,3,5-triazinylamino nitrile (CHEBI:38176) cyanazine (CHEBI:38069) is a chloro-1,3,5-triazine (CHEBI:38168)

Incoming	2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile (CHEBI:30265) has functional parent cyanazine (CHEBI:38069)

IUPAC Name

2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile

Synonyms	Sources
2-([4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino)-2-methylpropanenitrile	NIST Chemistry WebBook
2-[[4-chloro-6-(ethylamino)-s-triazin-2-yl]amino]-2-methylpropionitrile	NIST Chemistry WebBook
2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamine-1,3,5-triazine	ChemIDplus
2-chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-1,3,5-triazine	ChEBI
Bladex	NIST Chemistry WebBook
Cyanazine	KEGG COMPOUND
Fortrol	NIST Chemistry WebBook

Last Modified

04 November 2014

General Comment
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag