chempirical

5-Methylbenzotriazole

C7H7N3CAS 136-85-6133.15 g/mol

Open in Covalent MOL file
NNNH

Properties

Molecular formula
C7H7N3
Molar mass
133.15 g/mol
Exact mass
133.0640 Da
logP
1.27Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
136-85-6
SMILES
Cc1ccc2nn[nH]c2c1
InChIKey
LRUDIIUSNGCQKF-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)

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Names and synonyms

16 names · show all
  • 1H-Benzotriazole, 6-methyl-
  • Tolutriazole
  • 5-Methyl-1H-benzotriazole
  • 6-Tolyltriazole
  • TTA
  • 5-Tolyltriazole
  • NSC 122012
  • 5-Methyl-1H-benzo[d][1,2,3]triazole
  • 5M-BTA
  • Verzone VT 120M
  • 5MBT
  • 1H-Benzotriazole, 5-methyl-
  • Benzotriazole, 5-methyl-
  • 6-Methyl-1H-benzotriazole
  • 5-Methyl-1,2,3-benzotriazole
  • 6-Methyl-1,2,3-benzotriazole

Work with 5-Methylbenzotriazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Chlorobenzotriazole94-97-357 % similar 5,6-Dimethyl-1H-benzotriazole4184-79-653 % similar 5-Nitrobenzotriazole2338-12-750 % similar 5-Methylbenzimidazole614-97-150 % similar 2-Mercapto-5-methylbenzimidazole27231-36-346 % similar 2,6-Dimethylquinoline877-43-042 % similar 2,3,6-Trimethylquinoxaline17635-21-141 % similar 2,7-Dimethylquinoline93-37-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1H-Pyrrolo[2,3-B]pyridin-5-ylamine100960-07-4 1H-Pyrazolo[3,4-B]pyridine,3-methyl-(9ci)116834-96-9 1-Methylbenzotriazole13351-73-0 2,5-Diaminobenzonitrile14346-13-5 3,4-Diaminobenzonitrile17626-40-3 1H-Indazol-5-amine19335-11-6 1H-Indazol-7-amine21443-96-9 Benzyl azide622-79-7

Elsewhere

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