EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

Default Structure
ChEBI IDCHEBI:27726
ChEBI Name6-chloro-1,3,5-triazine-2,4-diamine
Stars
Secondary ChEBI IDsCHEBI:4375, CHEBI:23598
Last Modified13 May 2014
DownloadsMolfile
FormulaC3H4ClN5
Net Charge0
Average Mass145.553
Monoisotopic Mass145.01552
SMILESNc1nc(N)nc(Cl)n1
InChIInChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
InChIKeyFVFVNNKYKYZTJU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
2,4-diamino-6-chloro-1,3,5-triazineNIST Chemistry WebBook
2,4-diamino-6-chloro-s-triazineNIST Chemistry WebBook
2-chloro-4,6-diamino-s-triazineChemIDplus
2-chloro-4,6-diaminotriazineNIST Chemistry WebBook
DeisopropyldeethylatrazineKEGG COMPOUND
Manual XrefsDatabases
c0170UM-BBD
C06560KEGG COMPOUND
Registry NumbersSources
Beilstein:124340Beilstein
CAS:3397-62-4KEGG COMPOUND
CAS:3397-62-4NIST Chemistry WebBook
CAS:3397-62-4ChemIDplus