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

Hazards

Warning
Irritant (GHS07)

Aggregated from 70 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-methanol28539-02-847 % similar 1-(Trimethylsilyl)-1H-benzotriazole43183-36-447 % similar Bis(hydroxybenzotriazolyl) carbonate88544-01-844 % similar Benzotriazol-1-yl-acetic acid4144-64-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyrazolo[1,5-a]pyrimidin-2-amine1159982-76-9 7-Deazaadenine1500-85-2 Pyrrolo[2,1-f][1,2,4]triazin-4-amine159326-68-8 5H-Pyrrolo[3,2-D]pyrimidin-4-amine (9ci)2227-98-7 2,2'-Biimidazole492-98-8 1H-Pyrazolo[3,4-B]pyridin-3-amine6752-16-5 4-Amino-2-methyl-5-pyrimidinecarbonitrile698-29-3

Elsewhere

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