Skeleton modification is an effective way for tuning and achieving desired properties of energetic compounds. In this work, a series of energetic compounds based on [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 result compound 6 which has the same type energetic group, exhibiting higher density (1.951 g cm-3), better thermal stability and mechanical sensitivities to those of compound 5. Moreover, its energetic salts of hydrazinium salt 8 has a high detonation property (D = 9003 m s-1; P = 30.9 GPa). This research may provide new insight into the design and synthesis of novel energetic compounds with good comprehensive properties.
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