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

Default Structure
ChEBI IDCHEBI:83455
ChEBI Name5-methyl-1H-benzotriazole
Stars
ASCII Name5-methyl-1H-benzotriazole
DefinitionA member of the class of benzotriazoles that is 1H-benzotriazole substituted by a methyl group at position 5.
Last Modified7 November 2014
DownloadsMolfile
FormulaC7H7N3
Net Charge0
Average Mass133.154
Monoisotopic Mass133.06400
SMILESCc1ccc2nnnc2c1
InChIInChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
InChIKeyLRUDIIUSNGCQKF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
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 Relation(s)
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)
IUPAC Name 
5-methyl-1H-benzotriazole
Synonyms  Source
5-TolyltriazoleNIST Chemistry WebBook
TolutriazoleNIST Chemistry WebBook
Registry NumbersSources
Reaxys:116658Reaxys
CAS:136-85-6NIST Chemistry WebBook
Citations