Compound Identification
SMILES
Cl.CN1C=C(C2=C1C=CC(F)=C2)C1=NNC(=O)N1C1=CN(CCCN)C2=C1C=C(F)C=C2
InChIKey
InChIKey=VLUOLVPIMQUAOT-UHFFFAOYSA-N
Formula
C22H21ClF2N6O
Mass
458.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
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Level 5
Triazolones
- Level 6 Aryl 1,2,4-triazolones
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Level 5
Triazolones
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Subclass
Triazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Triazolones
Direct Parent
Aryl 1,2,4-triazolones
Alternative Parents
N-alkylindoles Indoles N-methylpyrroles Benzenoids Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl 1,2,4-triazol-3-one - N-alkylindole - Indole - Indole or derivatives - Aryl fluoride - Aryl halide - N-methylpyrrole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrochloride - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl 1,2,4-triazolones. These are aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl group.
External Descriptors
Not available