chempirical

[1,2,4]Triazole-1-carboxamidine hydrochloride

C3H6ClN5CAS 19503-26-5147.57 g/mol

Open in Covalent MOL file
HClHNH2NNNN

Properties

Molecular formula
C3H6ClN5
Molar mass
147.57 g/mol
Exact mass
147.0312 Da
logP
-0.56Crippen estimate
Polar surface area
80.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
19503-26-5
SMILES
Cl.N=C(N)n1cncn1
InChIKey
JDDXNENZFOOLTP-UHFFFAOYSA-N
InChI
InChI=1S/C3H5N5.ClH/c4-3(5)8-2-6-1-7-8;/h1-2H,(H3,4,5);1H

Weigh it out

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

Names and synonyms

4 names
  • 1H-1,2,4-Triazole-1-carboximidamide, hydrochloride (1:1)
  • 1H-1,2,4-Triazole-1-carboxamidine, monohydrochloride
  • 1H-1,2,4-Triazole-1-carboximidamide, monohydrochloride
  • 1H-1,2,4-Triazole-1-carboxamidine hydrochloride

Work with [1,2,4]Triazole-1-carboxamidine hydrochloride

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

1H-Pyrazole-1-carboxamidine hydrochloride4023-02-352 % similar Bis(1H-1,2,4-triazol-1-yl)methanone41864-22-642 % similar 3-Guanylpyridine hydrochloride7356-60-733 % similar 1,1-Dimethylethyl 1H-1,2,4-triazole-1-carboxylate41864-24-833 % similar Pyrazine-2-carboximidamide monohydrochloride138588-41-732 % similar

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

Elsewhere

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