Compound Identification
SMILES
ClC1=CC=C(CC2=NC3=C4C=NN=C4N=CN3N2)C=C1
InChIKey
InChIKey=GBVXTTMGBWCNSR-UHFFFAOYSA-N
Formula
C13H9ClN6
Mass
284.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolopyrimidines
Alternative Parents
Pyrazolo[3,4-d]pyrimidines Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl chlorides Triazoles Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - Triazolopyrimidine - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Pyrimidine - Benzenoid - Pyrazole - Heteroaromatic compound - Azole - Triazole - 1,2,4-triazole - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available