Compound Identification
SMILES
COC(=O)CC1=C(C)N=C2N=C(NCC3=CC=C(Cl)C=C3)NN2C1=O
InChIKey
InChIKey=TZCCCKJYFDXTJT-UHFFFAOYSA-N
Formula
C16H16ClN5O3
Mass
361.79
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
Benzylamines Secondary alkylarylamines Pyrimidones Chlorobenzenes Aryl chlorides Triazoles Methyl esters Heteroaromatic compounds Amino acids and derivatives Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Benzylamine - Chlorobenzene - Pyrimidone - Secondary aliphatic/aromatic amine - Halobenzene - Pyrimidine - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Methyl ester - 1,2,4-triazole - Triazole - Heteroaromatic compound - Azole - Lactam - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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