The design and synthesis of high-energy and high-safety energetic compounds are highly desirable for researchers in the field of energetic materials. In this case, significant efforts have been devoted to alleviating the contradiction between energy and safety. Herein, a new series of energetic compounds was designed and synthesized by assembling C–NO₂, gem-dinitro, and C–NH₂ or N → O with a [1,2,4]triazolo[5,1-c][1,2,4]triazine-fused ring, resulting in the formation of energetic compounds 6–13. All the new compounds were fully characterized via NMR, infrared (IR) spectroscopy, elemental analysis, and DSC. The structures of 6, 7, 10 and 13 were confirmed by single-crystal X-ray diffraction. Compounds 6–12 exhibited a good balance between energy and safety with excellent detonation performance (vD = 8049–8663 m s⁻¹ and P = 27.6–32.7 GPa) and low mechanical sensitivity (IS ≥ 30 J and FS = 180–240 N). Compound 13 exhibited high detonation performances (vD = 8893 m s⁻¹ and P = 36.0 GPa), which is superior to RDX. Hopefully, this work will provide guidance for the design and synthesis of high-energy, highly thermally stable and low-sensitive energetic compounds.

中文翻译：

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[1,2,4]三唑并[5,1-c][1,2,4]三嗪稠合高能化合物的多能基团协同驱动设计与合成

高能量、高安全性含能化合物的设计与合成是含能材料领域研究人员的迫切需求。在这种情况下，为缓解能源与安全的矛盾做出了重大努力。_{在此，通过将 C–NO 2}、宝石-二硝基和 C–NH ₂或 N → O 与[1,2,4]三唑并[5,1- c ][组装在一起，设计并合成了一系列新的高能化合物。1,2,4]三嗪稠合环，导致形成高能化合物6–13。所有新化合物都通过NMR、红外 (IR) 光谱、元素分析和 DSC 进行了全面表征。6 , 7 , 10的结构13个通过单晶X射线衍射得到证实。化合物6-12在能量和安全性之间表现出良好的平衡，具有出色的爆轰性能（vD = 8049-8663 ms ^-1和P = 27.6-32.7 GPa）和低机械灵敏度（IS ≥ 30 J 和 FS = 180-240 N） . 化合物13表现出高爆轰性能（vD = 8893 ms ^-1和P = 36.0 GPa），优于RDX。希望这项工作能为高能、高热稳定性和低敏感性含能化合物的设计和合成提供指导。