Compound Identification
SMILES
O=C1N=C(NC2=CC=C(C=C2)C#N)NC2=NC=NC12
InChIKey
InChIKey=VOVCLEKQKULCDW-UHFFFAOYSA-N
Formula
C12H8N6O
Mass
252.237
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Aniline and substituted anilines Benzonitriles Pyrimidones Hydropyrimidines Imidolactams Imidazoles Guanidines N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Nitriles Carbonyl compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzonitrile - Aniline or substituted anilines - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Benzenoid - Imidolactam - Imidazole - Guanidine - N-acylimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid amidine - Propargyl-type 1,3-dipolar organic compound - Amidine - Carbonitrile - Nitrile - Carboximidamide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available