Molecule record

2-methylbenzotriazole

C7H7N3

133.15 g/mol

Loading structure

Molecular properties

Formula
C7H7N3
Molar mass
133.15 g·mol−1
Exact mass
133.0640 Da
6
PubChem CID
85498

Functional groups

Alkane / alkyl carbon
Aromatic ring

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 16584-00-2
  • 2-Methyl-1,2,3-benzotriazole
  • 2-Methyl-2H-1,2,3-benzotriazole
  • 2-Methyl-2H-1,2,3-benzotriazole #
  • 2-Methyl-2H-benzo[d][1,2,3]triazole
  • 2-Methyl-2H-benzotriazole
  • 2-N-methyl benzotriazole
  • 2H-Benzotriazole, 2-methyl-
Show all 24 synonyms
  • 973-671-9
  • AKOS006272796
  • ALBB-032316
  • BDBM50234608
  • CHEMBL4068558
  • CVC67ET4QX
  • DTXSID80168031
  • MFCD00464868
  • NSC-11744
  • NSC11744
  • RAA58400
  • RefChem:474752
  • SCHEMBL2306803
  • SCHEMBL2872408
  • SCHEMBL4048689
  • SCHEMBL822547

Structure identifiers

Canonical SMILES
Cn1nc2ccccc2n1
Isomeric SMILES
CN1N=C2C=CC=CC2=N1
InChI
InChI=1S/C7H7N3/c1-10-8-6-4-2-3-5-7(6)9-10/h2-5H,1H3
InChIKey
PWORFEDVDWBHSJ-UHFFFAOYSA-N
PubChem CID
85498

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-methylbenzotriazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methylbenzotriazole; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record