Ultrasound-assisted green synthesis and in silico study of 6-(4-(butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl)oxypyridazine derivatives

Eco-friendly ultrasound-assisted synthesis of a series of 3-N-substituted 6-((4-(butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl)oxy)pyridazin-3(2H)-one derivatives and in silico study to predict their biological activities were carried out. Physicochemical and pharmacokinetic properties were obtained. Absorption, distribution, metabolism, excretion and toxicity properties and bioavailability index were calculated. A comparative analysis of structural similarity based on the Tanimoto coefficient was carried out.

Automated summary

This study employed an eco-friendly ultrasound-assisted synthesis method to produce a series of novel compounds, and conducted in silico studies to predict their biological activities. Additionally, physicochemical and pharmacokinetic properties were calculated, providing valuable reference for the application of these compounds.