Compound Identification
SMILES
CC1=CC(NC(C#N)C2=CC=C(C=C2)N2C=NC=N2)=C(F)C=C1
InChIKey
InChIKey=FAVXTTOUVMSTPK-UHFFFAOYSA-N
Formula
C17H14FN5
Mass
307.332
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
-
Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
-
Level 5
Phenyltriazoles
-
Subclass
Triazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Phenylalkylamines Aniline and substituted anilines Aminotoluenes Secondary alkylarylamines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Alpha-aminonitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl fluoride - Heteroaromatic compound - Alpha-aminonitrile - Secondary amine - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Amine - Cyanide - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic 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