5-Nitriminotetrazole 1-Oxide: An Exciting Oxygen- and Nitrogen-Rich Heterocycle

5-Nitriminotetrazole 1-oxide (CH2N6O3) and selected salts (e.g., dipotassium, diammonium, dihydroxylammonium) were prepared and characterized for the first time. The neutral molecule can be obtained by nitration of an O-protected 5-aminotetrazole 1-oxide. The new compounds were characterized by using low-temperature X-ray diffraction as well as IR, Raman, and multinuclear NMR spectroscopy and elemental analysis. Differential scanning calorimetry measurements showed a large range for the decomposition temperatures. The highest value of 320 degrees C was observed for the dipotassium salt. The energetic performances (detonation velocities up to 9842 ms(-1)) were calculated with the EXPLO5 code by using calculated (CBS-4M) heats of formation and experimentally obtained X-ray densities. Calculated performance data support the highly energetic character of these new compounds. The sensitivities toward impact, friction, and electrostatic discharge were also determined.