chempirical

1-[(4-Hydrazinylphenyl)methyl]-1H-1,2,4-triazole hydrochloride (1:2)

C9H13Cl2N5CAS 212248-62-9262.14 g/mol

Open in Covalent MOL file
HClHClH2NHNNNN
Primary amineSecondary amine

Properties

Molecular formula
C9H13Cl2N5
Molar mass
262.14 g/mol
Exact mass
261.0548 Da
logP
1.46Crippen estimate
Polar surface area
68.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
212248-62-9
SMILES
Cl.Cl.NNc1ccc(Cn2cncn2)cc1
InChIKey
GQCFPMNGKXWANF-UHFFFAOYSA-N
InChI
InChI=1S/C9H11N5.2ClH/c10-13-9-3-1-8(2-4-9)5-14-7-11-6-12-14;;/h1-4,6-7,13H,5,10H2;2*1H

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Names and synonyms

2 names
  • 1H-1,2,4-Triazole, 1-[(4-hydrazinylphenyl)methyl]-, hydrochloride (1:2)
  • 1H-1,2,4-Triazole, 1-[(4-hydrazinophenyl)methyl]-, dihydrochloride

Work with 1-[(4-Hydrazinylphenyl)methyl]-1H-1,2,4-triazole hydrochloride (1:2)

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

4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile112809-25-351 % similar 1-(4-Nitrobenzyl)-1H-1,2,4-triazole119192-09-548 % similar 4-Hydrazino-N-methylbenzenemethanesulfonamide hydrochloride88933-16-837 % similar p-Chlorophenylhydrazine monohydrochloride1073-70-737 % similar p-Bromophenylhydrazine hydrochloride41931-18-437 % similar 4-Bromophenylhydrazine hydrochloride622-88-837 % similar 4-Methylphenylhydrazine hydrochloride637-60-537 % similar (4-Fluorophenyl)hydrazine hydrochloride823-85-837 % similar

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

Elsewhere

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