propazine (CHEBI:38067)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	propazine

ChEBI ID	CHEBI:38067

Definition	A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.

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

Secondary ChEBI IDs	CHEBI:34937, CHEBI:26297

Supplier Information	ChemicalBook:CB3187780, eMolecules:501391, ZINC000000246137

Download	Molfile XML SDF

Formula

C9H16ClN5

Net Charge

Average Mass

229.70974

Monoisotopic Mass

229.10942

InChI

InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)

InChIKey

WJNRPILHGGKWCK-UHFFFAOYSA-N

SMILES

CC(C)Nc1nc(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	propazine (CHEBI:38067) has role environmental contaminant (CHEBI:78298) propazine (CHEBI:38067) has role herbicide (CHEBI:24527) propazine (CHEBI:38067) has role xenobiotic (CHEBI:35703) propazine (CHEBI:38067) is a chloro-1,3,5-triazine (CHEBI:38168) propazine (CHEBI:38067) is a diamino-1,3,5-triazine (CHEBI:38170)

IUPAC Name

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

Synonyms	Sources
2,4-bis(isopropylamino)-6-chloro-s-triazine	NIST Chemistry WebBook
2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine	KEGG COMPOUND
2-chloro-4,6-bis(isopropylamino)-s-triazine	NIST Chemistry WebBook
6-chloro-N,N'-(1-methylethyl)-[1,3,5]triazine-2,4-diamine	NIST Chemistry WebBook
6-chloro-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine	NIST Chemistry WebBook
6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diamine	IUPAC
6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diyldiamine	NIST Chemistry WebBook
Propazine	KEGG COMPOUND
Prozinex	NIST Chemistry WebBook

Citations

Last Modified

25 February 2016

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