Structure Information
Structure

Compound Identification

SMILES

NC1=CC=CC(=C1)C1=NC2=C(C#N)C(=CN2N1)C(O)=O

InChIKey

InChIKey=SUSYMAPRMZMLKL-UHFFFAOYSA-N

Formula

C13H9N5O2

Mass

267.248

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Phenyltriazoles

Direct Parent

Phenyl-1,2,4-triazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenyl-1,2,4-triazole - Pyrrole-3-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Aniline or substituted anilines - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Cyanide - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.

External Descriptors

Not available

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