This work is devoted to acyclic products of the interaction of 3,5-diamino-1,2,4-triazole (guanazole) with 4,5-carboxy-substituted phthalonitriles. The choice of such compounds is due to the fact that 3,5-diamino-1,2,4-triazoleand its derivatives are used in medical practice as many drugs, and the introduction of carboxyl groups, as a rule, imparts solubility in water, catalytic ac-tivity, demonstrates interesting photophysical and photochemical properties. Combining the valu-able properties of precursors, it is possible to create functional materials with practically useful properties. The resulting three-component products are powdery substances from orange to red in color, well soluble both in water and in other solvents. To establish the structure of the compounds, a complex of modern physicochemical methods of analysis was used. Acyclic triazole-substituted carboxy compounds contain in their composition reaction centers capable of interacting with ions of various metals to form stable complex compounds.We have continued the synthetic series of new triazole-containing three-unit products with gallium, nickel, and cobalt ions, which will fur-ther expand the possibility of their practical application and obtain macroheterocycles of various structures. In addition, we predicted the spectrum of antibacterial activity, cytotoxicity of the syn-thesized interaction products using virtual screening using the Anti-Bac-Pred program.To assess the correctness of the prediction of the spectraof antibacterial activity, in vitro studies of the syn-thesized compounds were carried out on strains: Escherichia coli, Staphylococcus aureus, Staph-ylococcus Epidermidis. The possibility of using acyclic products with gallium as a potential anti-bacterial drug against gram-negative strains is shown.