4-(5-Amino-1H-1,2,4-triazol-3-yl)pyridinium chloride monohydrate
2011
Study of 5-Amino-3-(Pyridin-4-yl)-1,2,4-triazole Hydrochloride
publication
Evidence: moderate
Author Information
Author(s): Victor M. Chernyshev, Elena V. Tarasova, Anna V. Chernysheva, Victor B. Rybakov
Primary Institution: South-Russia State Technical University
Hypothesis
The study investigates the protonation centers of 3-pyridyl-substituted 5-amino-1,2,4-triazoles.
Conclusion
The compound exists predominantly in the tautomer A form in DMSO solution, with the pyridine cycle being protonated.
Supporting Evidence
- The study confirms the protonation of the pyridine cycle in the hydrochloride form.
- X-ray diffraction data supports the existence of tautomer A.
- NMR spectroscopy indicates the chemical shifts typical for unprotonated 5-amino-1H-1,2,4-triazoles.
Takeaway
This study looks at a special chemical compound and how it behaves in different solutions, helping us understand its properties better.
Methodology
The compound was synthesized and analyzed using X-ray diffraction and NMR spectroscopy.
Statistical Information
P-Value
pKα = 4.68(5)
Digital Object Identifier (DOI)
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