Похідні [1,2,4]триазоло[4,3-b]піридазин-6-іл-гідразинів — новий тренувальний ряд для прогнозних моделей розподілу октанол — вода

Abstract

The set of [1,2,4]triazolo[4,3-b]pirydazin-6-il-hydrazin derivatives has been synthesized. We have analyzed their spectral 1H NMR and molecular modelling data. Octanol/water partition coefficients Pow have been measured by the ''shake flask'' method. The results were compared with values Pow predicted by a number of empirical models. It is shown that this set can serve as an effective ''teaching'' and validative tool for predictive models.