Compound Identification
SMILES
CC1=C(C#N)C(NC2=NC=CC(C)=C2)(C(=O)N1)C(F)(F)F
InChIKey
InChIKey=WSMRMIJSZNSBQQ-UHFFFAOYSA-N
Formula
C13H11F3N4O
Mass
296.253
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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
Methylpyridines Aminopyridines and derivatives Imidolactams Pyrrolines Heteroaromatic compounds Secondary carboxylic acid amides Lactams Nitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Aminopyridine - Methylpyridine - Pyridine - Imidolactam - Pyrroline - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Cyanide - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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