benzotriazole (CHEBI:75331)

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ChEBI Name	benzotriazole

ChEBI ID	CHEBI:75331

Definition	The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C6H5N3

Net Charge

Average Mass

119.12400

Monoisotopic Mass

119.04835

InChI

InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)

InChIKey

QRUDEWIWKLJBPS-UHFFFAOYSA-N

SMILES

c1ccc2[nH]nnc2c1

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.

Biological Role(s):	xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

ChEBI Ontology
Outgoing	benzotriazole (CHEBI:75331) has role environmental contaminant (CHEBI:78298) benzotriazole (CHEBI:75331) has role xenobiotic (CHEBI:35703) benzotriazole (CHEBI:75331) is a benzotriazoles (CHEBI:48912)

Incoming	1-(2,4-dichlorobenzoyl)-1H-1,2,3-benzotriazole (CHEBI:75330) has functional parent benzotriazole (CHEBI:75331)

IUPAC Name

1H-benzotriazole

Last Modified

07 November 2014