Fused Triazole-Tetrazine Assembled with Different Functional Moieties: Construction of Multipurpose Energetic Materials

Azido, amino, and azo functionalities were introduced into tetrazine backbones to access multifunctional energetic materials. AzNTT demonstrates effective initiation capability (MPC = 50 mg), whereas NTTA balances well between the energy and stability. Azo-functionalized BNTTD has a high density of 1.908 g cm–3, with performance comparable to that of the benchmark material HMX. This work underscores the scope of energetic functionalization and the outstanding comprehensive performance of polycyclic tetrazines.