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CHEBI:38069 - cyanazine

ChEBI IDCHEBI:38069
ChEBI Namecyanazine
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:23421, CHEBI:34658
Last Modified4 November 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC9H13ClN6
Net Charge0
Average Mass240.698
Monoisotopic Mass240.08902
SMILESCCNc1nc(Cl)nc(NC(C)(C)C#N)n1
InChIInChI=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)
InChIKeyMZZBPDKVEFVLFF-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
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 (Brønsted acid).
Biological Role:
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:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
CyanazineKEGG COMPOUND
2-[[4-chloro-6-(ethylamino)-s-triazin-2-yl]amino]-2-methylpropionitrileNIST Chemistry WebBook
2-([4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino)-2-methylpropanenitrileNIST Chemistry WebBook
BladexNIST Chemistry WebBook
FortrolNIST Chemistry WebBook
2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamine-1,3,5-triazineChemIDplus
Manual XrefsDatabases
c0176UM-BBD
C14299KEGG COMPOUND
cyanazineAlan Wood's Pesticides
185PPDB
Registry NumbersSources
Beilstein:615509Beilstein
Reaxys:615509Reaxys
CAS:21725-46-2ChemIDplus
CAS:21725-46-2NIST Chemistry WebBook
CAS:21725-46-2KEGG COMPOUND
Citations