“…The introduction of N-oxide moieties can greatly improve the physical properties and detonation performances of energetic materials. [1][2][3][4][5][6][7][8][9][10] During the past few decades, N-oxide rich aromatic heterocycles have attracted intensive attention and numerous novel N-oxide rich energetic structures, such as 1,2,3,4-tetrazino [5,6-e]-1,2,3,4-tetrazine-1,3,6,8-tetraoxide (TTTO), 11,12 1-hydroxy-1H- [1,2,3]triazolo [4,5-e] [1,2,3,4]tetrazine 5,7-dioxide (HTTDO), 13,14 and [1,2,5] oxadiazolo [3,4-e] [1,2,3,4] tetrazine 4,6-di-N-oxide 15 were successfully achieved. From a structural point of view, strong hydrogen bonds will be formed by incorporating nitro or N-oxide groups with adjacent amino groups and typical structures include 2,6-diamino-3,5dinitropyrazine-1-oxide (LLM-105), 16,17 triamino-5nitropyrimidine-1,3-dioxide (ICM-102), 18 and 3,8-dinitropyrazolo [5,1-c] [1,2,4] triazine-4,7-diamine.…”