6-chloro-1,3,5-triazine-2,4-diamine (CHEBI:27726)

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ChEBI Name	6-chloro-1,3,5-triazine-2,4-diamine

ChEBI ID	CHEBI:27726

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

Secondary ChEBI IDs	CHEBI:4375, CHEBI:23598

Supplier Information

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Formula

C3H4ClN5

Net Charge

Average Mass

145.55026

Monoisotopic Mass

145.01552

InChI

InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)

InChIKey

FVFVNNKYKYZTJU-UHFFFAOYSA-N

SMILES

Nc1nc(N)nc(Cl)n1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	6-chloro-1,3,5-triazine-2,4-diamine (CHEBI:27726) has functional parent 1,3,5-triazine-2,4-diamine (CHEBI:38071) 6-chloro-1,3,5-triazine-2,4-diamine (CHEBI:27726) has functional parent 2-chloro-1,3,5-triazine (CHEBI:38074) 6-chloro-1,3,5-triazine-2,4-diamine (CHEBI:27726) is a chloro-1,3,5-triazine (CHEBI:38168) 6-chloro-1,3,5-triazine-2,4-diamine (CHEBI:27726) is a diamino-1,3,5-triazine (CHEBI:38170)

Incoming	atrazine (CHEBI:15930) has functional parent 6-chloro-1,3,5-triazine-2,4-diamine (CHEBI:27726) deethylatrazine (CHEBI:28212) has functional parent 6-chloro-1,3,5-triazine-2,4-diamine (CHEBI:27726) deisopropylatrazine (CHEBI:27399) has functional parent 6-chloro-1,3,5-triazine-2,4-diamine (CHEBI:27726) terbutylazine (CHEBI:30263) has functional parent 6-chloro-1,3,5-triazine-2,4-diamine (CHEBI:27726)

IUPAC Name

6-chloro-1,3,5-triazine-2,4-diamine

Synonyms	Sources
2,4-diamino-6-chloro-1,3,5-triazine	NIST Chemistry WebBook
2,4-diamino-6-chloro-s-triazine	NIST Chemistry WebBook
2-chloro-4,6-diamino-s-triazine	ChemIDplus
2-chloro-4,6-diaminotriazine	NIST Chemistry WebBook
Deisopropyldeethylatrazine	KEGG COMPOUND

Last Modified

13 May 2014