Towards improved comprehensive energetic properties by skeleton modification

Skeleton modification is an effective way of tuning and achieving desired properties for energetic compounds. In this work, a series of energetic compounds based on the [1,2,4]triazolo[3,4-f][1,2,4]triazine-8(7H)-one backbone have been designed and synthesized. After the skeleton modification of compound 5, the resulting compound 6, which has the same type of energetic group, exhibits higher density (1.951 g cm⁻³), and better thermal stability and mechanical sensitivities than those of compound 5. Moreover, its energetic hydrazinium salt 8 has a high detonation property (D = 9003 m s⁻¹; P = 30.9 GPa). This research may provide new insights into the design and synthesis of novel energetic compounds with balanced comprehensive properties.