Synthesis and characterization of the energetic 5,7‐diamino‐2‐nitro‐1,2,4‐triazolo[1,5‐a]‐1,3,5‐triazine

Abstract The energetic compound 5,7‐diamino‐2‐nitro‐1,2,4‐triazolo[1,5‐a]‐1,3,5‐triazine (ANTT) was synthesized through the selective nitration of 2,5,7‐triamine‐1,2,4‐triazolo[1,5‐a]‐1,3,5‐triazine (TTT). This facile synthetic strategy yields a highly insensitive energetic nitrogen bicycle with potential for further functionalization. ANTT was chemically characterized by NMR, IR, and single crystal X‐Ray crystallography. Its energetic sensitivities (impact, friction) were experimentally determined, and its energetic performances were calculated for the first time.