Compound Identification
SMILES
CN(C)C=C(C(=O)C(F)(F)F)C1=NN=NN1C1=CC=C(Br)C=C1
InChIKey
InChIKey=CQSIKSZGAGTGPD-UHFFFAOYSA-N
Formula
C13H11BrF3N5O
Mass
390.164
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Tetrazoles
- Level 5 Phenyltetrazoles and derivatives
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Subclass
Tetrazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Tetrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltetrazoles and derivatives
Alternative Parents
Bromobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl bromides Acryloyl compounds Vinylogous amides Alpha-haloketones Enones Heteroaromatic compounds Trialkylamines Enamines Azacyclic compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyltetrazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Vinylogous amide - Acryloyl-group - Alpha-haloketone - Enone - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Enamine - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organobromide - Organofluoride - Carbonyl group - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
External Descriptors
Not available