chempirical

1-Aminobenzotriazole

C6H6N4CAS 1614-12-6134.14 g/mol

Open in Covalent MOL file
H2NNNN
Primary amine

Properties

Molecular formula
C6H6N4
Molar mass
134.14 g/mol
Exact mass
134.0592 Da
Melting point
84 °C
logP
0.15Crippen estimate
Polar surface area
56.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
1614-12-6
SMILES
Nn1nnc2ccccc21
InChIKey
JCXKHYLLVKZPKE-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N4/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H,7H2

Weigh it out

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

Names and synonyms

9 names
  • 1H-Benzotriazol-1-amine
  • 1H-Benzotriazole, 1-amino-
  • 1-Benzotriazolylamine
  • NSC 114498
  • NSC 656987
  • 3-Aminobenzotriazole
  • 1-Amino-1,2,3-benzotriazole
  • 1H-Benzo[d][1,2,3]triazol-1-amine
  • 1H-1,2,3-Benzotriazol-1-amine

Work with 1-Aminobenzotriazole

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

Hydroxybenzotriazole2592-95-254 % similar 1-Methylbenzotriazole13351-73-052 % similar 1-Hydroxy-1H-benzotriazole hydrate (1:?)123333-53-948 % similar 1-Hydroxybenzotriazole hydrate80029-43-248 % similar 1H-Benzotriazole-1-propanoic acid654-15-938 % similar Bop reagent56602-33-635 % similar Pybop128625-52-533 % similar 1-Methylbenzimidazole1632-83-333 % similar

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

Same formula

7-Deazaadenine1500-85-2 2,2′-Biimidazole492-98-8 4-Amino-2-methyl-5-pyrimidinecarbonitrile698-29-3

Elsewhere

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