Synthesis of 5-Methyl-1-Nitraminotetrazole and comparison to the regioisomer 1-Methyl-5-Nitraminotetrazole

Abstract. The aim of this study was the synthesis of the novel compound 5-methyl-1-nitraminotetrazole and its energetic salts (Ag⁺, K⁺, NH₄⁺, N₂H₅⁺ and NH₃OH⁺). The resulting compounds were characterized by multinuclear NMR (¹H, ¹³C, ¹⁴N and ¹⁵N), IR spectroscopy, elemental analysis, differential thermal analysis (DTA), high-resolution mass spectrometry and single-crystal X-ray diffraction. Sensitivities towards mechanical stimuli were measured using a BAM drop hammer and a BAM friction apparatus. The energetic performance parameters were then calculated using the EXPLO5 code, which incorporated the densities obtained from the X-ray diffraction measurements, recalculated to room temperature, as well as the solid-state heats of formation, which were obtained via CBS-4M calculations using the Gaussian 16 program. The obtained compounds were compared with the regioisomer, 1-methyl-5-nitraminotetrazole, and its salts.