chempirical

4-[6-(1,1-Dimethylethyl)-3H-pyrazolo[1,5-B][1,2,4]triazol-2-yl]benzenamine

C14H17N5CAS 152828-25-6255.33 g/mol

Open in Covalent MOL file
NNH2NHNN
Primary amine

Properties

Molecular formula
C14H17N5
Molar mass
255.33 g/mol
Exact mass
255.1484 Da
logP
2.60Crippen estimate
Polar surface area
72.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
152828-25-6
SMILES
CC(C)(C)c1cc2nc(-c3ccc(N)cc3)[nH]n2n1
InChIKey
GWWKREFFAKXRQV-UHFFFAOYSA-N
InChI
InChI=1S/C14H17N5/c1-14(2,3)11-8-12-16-13(18-19(12)17-11)9-4-6-10(15)7-5-9/h4-8H,15H2,1-3H3,(H,16,18)

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Names and synonyms

4 names
  • Benzenamine, 4-[6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]-
  • Benzenamine, 4-[6-(1,1-dimethylethyl)-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]-
  • 1H-Pyrazolo[1,5-b][1,2,4]triazole, benzenamine deriv.
  • 2-(4-Aminophenyl)-6-tert-butyl-1H-pyrazolo[1,5-b][1,2,4]triazole

Work with 4-[6-(1,1-Dimethylethyl)-3H-pyrazolo[1,5-B][1,2,4]triazol-2-yl]benzenamine

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

3-(1,1-Dimethylethyl)-1-methyl-1H-pyrazol-5-amine118430-73-236 % similar 4-tert-Butylaniline769-92-635 % similar 2-(4-Aminophenyl)-5-aminobenzimidazole7621-86-535 % similar 5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine126208-61-535 % similar 7-Chloro-2-(1,1-dimethylethyl)-5-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine175203-38-032 % similar 1,3,5-Tri(4-aminophenyl)benzene118727-34-731 % similar [1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-131 % similar

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

Elsewhere

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