Structure Information
Structure

Compound Identification

SMILES

Br.OC1=C(O)C=C(NC2=NCCN2)C=C1

InChIKey

InChIKey=IHDSRMRRAGEQFY-UHFFFAOYSA-N

Formula

C9H12BrN3O2

Mass

274.118

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

Benzenediols

Intermediate Tree Nodes

Not available

Direct Parent

Catechols

Alternative Parents

p-Aminophenols m-Aminophenols Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Imidazolines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Hydrobromides Amines

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aminophenol - P-aminophenol - M-aminophenol - Catechol - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - 2-imidazoline - Guanidine - Azacycle - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Hydrobromide - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.

External Descriptors

Not available

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