Synthesis, Reactivity, and Anticancer Activity Evaluation of 4‐Amino‐3‐Mercapto‐6‐Methyl‐1,2,4‐Triazin‐5(4 H )‐One Derivatives

1,2,4-Triazine and its derivatives occupy a fundamental position in the field of medicinal chemistry because of their diverse biological applications, such as anticancer. To search for promising anticancer agents, a new series of 4-amino-3-mercapto-6-methyl-1,2,4-triazin-5(4H)-one derivatives was prepared. Straightforward synthetic methodologies were employed, such as condensation, cyclization, hydrazinolysis, alkylation, and condensation-addition reactions. All of the new compounds were characterized by a combination of spectral data and elemental analysis. The molecular structures of several compounds on a single crystal X-ray provided confirmation. The anticancer activity was evaluated against three cancer cell lines, which are hepatocellular carcinoma (HEPG-2), colorectal carcinoma (HCT-116) and mammary gland breast cancer (MCF-7). The results revealed that a representative number of compounds have potent cytotoxicity against HEPG-2, HCT-116 and MCF-7 cell lines with IC50 values ranging from 6.71 to 31.25 μg/mL.