Compound Identification
SMILES
CC1=CC=CC=C1NC(=O)C1CC(=O)N2NC=NC2=N1
InChIKey
InChIKey=NOTVAPXQSLUDJZ-UHFFFAOYSA-N
Formula
C13H13N5O2
Mass
271.28
Taxonomic Classification
Taxonomy Tree
-
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
Triazolopyrimidines Anilides Pyrimidinecarboxamides N-arylamides Toluenes Hydropyrimidines Triazolines Amidrazones Secondary carboxylic acid amides Carboxylic acid hydrazides Formamidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Imines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrimidinecarboxamide - Triazolopyrimidine - Anilide - N-arylamide - Toluene - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Triazoline - Carboxylic acid amidrazone - Carboxamide group - Carboxylic acid hydrazide - Secondary carboxylic acid amide - Formamidine - Organoheterocyclic compound - Amidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Imine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - 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