Promising structures among 6-nitro-1,2,4-triazolo[1,5-a]pyrimidine, structural analogues of synthetic inhibitors of adenosine receptors, were selected on the basis of quantum-chemical calculations. An approach to the synthesis of mentioned compounds via nitration and chlorooxygenation reactions was proposed. In vivo activity of 6-nitroheterocycles that showed affinity to adenosine receptor A2a was investigated in regard to septic conditions.