Synthesis, Spectroscopic Characterization, and In Silico Evaluation of 3-Methyl-6-anilino-1,2,4-triazine as a Promising Antidiabetic Agent

The triazine scaffold remains a cornerstone in the development of biologically active molecules due to its structural versatility and pharmacological potential. In this study, we report the synthesis of 3-methyl-6-anilino-1,2,4-triazine, a brown crystalline compound obtained through the condensation of 3-methyl-6-amino-1,2,4-triazine with aniline hydrochloride. Structural elucidation was carried out via IR, 1H NMR, 13C NMR, and mass spectrometry, confirming the proposed framework. The compound was subjected to SwissADME analysis, which indicated favorable pharmacokinetic properties, high gastrointestinal absorption, and compliance with Lipinski's rule. Molecular docking was performed against PPAR-γ (PDB ID: 3VI8), showing a binding energy of -7.6 kcal/mol and key hydrogen bonding interactions. These findings suggest that the compound could serve as a viable lead for the development of new antidiabetic agents.