chempirical

1-Methylbenzotriazole

C7H7N3CAS 13351-73-0133.15 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C7H7N3
Molar mass
133.15 g/mol
Exact mass
133.0640 Da
Melting point
64.5 °C
Boiling point
270.5 °C
logP
0.97Crippen estimate
Polar surface area
30.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
13351-73-0
SMILES
Cn1nnc2ccccc21
InChIKey
HXQHRUJXQJEGER-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1H-Benzotriazole, 1-methyl-
  • 1-Methyl-1H-benzotriazole
  • 1-Methyl-1,2,3-benzotriazole
  • NSC 11743
  • 1-Methyl-1H-benzo[d][1,2,3]triazole
  • 1-Methyl-1H-1,2,3-benzotriazole

Work with 1-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hydroxybenzotriazole2592-95-254 % similar 1-Aminobenzotriazole1614-12-652 % similar 1-Hydroxy-1H-benzotriazole hydrate (1:?)123333-53-948 % similar 1-Hydroxybenzotriazole hydrate80029-43-248 % similar 1-Methylbenzimidazole1632-83-342 % similar Bop reagent56602-33-638 % similar 1H-Benzotriazole-1-propanoic acid654-15-938 % similar 1-Methyl-2-formylbenzimidazole3012-80-435 % 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 5-Methylbenzotriazole136-85-6 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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