CHEBI:83455 - 5-methyl-1H-benzotriazole

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ChEBI Name 5-methyl-1H-benzotriazole
ChEBI ASCII Name 5-methyl-1H-benzotriazole
Definition A member of the class of benzotriazoles that is 1H-benzotriazole substituted by a methyl group at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H7N3
Net Charge 0
Average Mass 133.15060
Monoisotopic Mass 133.06400
InChI InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
SMILES Cc1ccc2[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.
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ChEBI Ontology
Outgoing 5-methyl-1H-benzotriazole (CHEBI:83455) has role environmental contaminant (CHEBI:78298)
5-methyl-1H-benzotriazole (CHEBI:83455) has role xenobiotic (CHEBI:35703)
5-methyl-1H-benzotriazole (CHEBI:83455) is a benzotriazoles (CHEBI:48912)
Synonyms Sources
5-Tolyltriazole NIST Chemistry WebBook
Tolutriazole NIST Chemistry WebBook
Registry Numbers Types Sources
116658 Reaxys Registry Number Reaxys
136-85-6 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
24621328 PubMed citation Europe PMC
24746525 PubMed citation Europe PMC
Last Modified
07 November 2014
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag