atraton (CHEBI:82220)

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ChEBI Name	atraton

ChEBI ID	CHEBI:82220

Definition	A diamino-1,3,5-triazine that is N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6. It is an agrochemical used as a herbicide.

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

Supplier Information

Download	Molfile XML SDF

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Formula

C9H17N5O

Net Charge

Average Mass

211.26420

Monoisotopic Mass

211.14331

InChI

InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)

InChIKey

PXWUKZGIHQRDHL-UHFFFAOYSA-N

SMILES

CCNc1nc(NC(C)C)nc(OC)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):	agrochemical An agrochemical is a substance that is used in agriculture or horticulture. herbicide A substance used to destroy plant pests.

ChEBI Ontology
Outgoing	atraton (CHEBI:82220) has role agrochemical (CHEBI:33286) atraton (CHEBI:82220) has role environmental contaminant (CHEBI:78298) atraton (CHEBI:82220) has role herbicide (CHEBI:24527) atraton (CHEBI:82220) has role xenobiotic (CHEBI:35703) atraton (CHEBI:82220) is a diamino-1,3,5-triazine (CHEBI:38170) atraton (CHEBI:82220) is a methoxy-1,3,5-triazine (CHEBI:38177)

IUPAC Name

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

Synonyms	Sources
2-Methoxy-4-ethylamino-6-isopropylamino-s-triazine	ChemIDplus
2-Methoxy-4-isopropylamino-6-ethylamino-s-triazine	ChemIDplus

Last Modified

17 November 2014