Compound Identification
SMILES
COC1=CC=C(CN2N=NC3=C2N=CN=C3Cl)C=C1
InChIKey
InChIKey=SHOSNIYMWFNTIT-UHFFFAOYSA-N
Formula
C12H10ClN5O
Mass
275.7
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
Phenoxy compounds Methoxybenzenes Anisoles Halopyrimidines Alkyl aryl ethers Aryl chlorides Triazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Halopyrimidine - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Azole - 1,2,3-triazole - Triazole - Ether - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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