Compound Identification
SMILES
ClC1=CC(C(=O)C=C1)=C1C[C@@H](N2NC=NC2=N1)C1=CC=CC=C1
InChIKey
InChIKey=KKVTXGTWBPZPOG-OAHLLOKOSA-N
Formula
C17H13ClN4O
Mass
324.77
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
O-quinomethanes Hydropyrimidines Benzene and substituted derivatives Triazolines Amidrazones Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Formamidines Chloroalkenes Azacyclic compounds Organochlorides Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - O-quinomethane - Quinomethane - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Triazoline - Carboxylic acid amidrazone - Ketone - Cyclic ketone - Amidine - Formamidine - Azacycle - Chloroalkene - Haloalkene - Vinyl chloride - Vinyl halide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Imine - 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