Compound Identification
SMILES
CC1=C(C(N2NC(=NC2=N1)C1=CC=C(Cl)C=C1)C1=CN=CC=C1)C(N)=O
InChIKey
InChIKey=BZXMRFYVXRPNSZ-UHFFFAOYSA-N
Formula
C18H15ClN6O
Mass
366.81
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
Pyrimidinecarboxamides Chlorobenzenes Pyridines and derivatives Aryl chlorides Hydropyrimidines Imidolactams Triazolines Heteroaromatic compounds Amidrazones Primary carboxylic acid amides Amidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinecarboxamide - Triazolopyrimidine - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Imidolactam - Hydropyrimidine - 1,6-dihydropyrimidine - Benzenoid - Aryl chloride - Pyridine - Aryl halide - Heteroaromatic compound - Triazoline - Carboxamide group - Carboxylic acid amidrazone - Primary carboxylic acid amide - Amidine - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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