Using 3, 3'-dinitro-5, 5'-bis-1, 2, 4-triazole-1, 1'-diolate(DNOBT) as starting material, three energetic ionic salts (DNOBT-3-AT, DNOBT-ODH, DNOBT-DHT)were synthesized by reaction with 3-amino-1, 2, 4-triazole, oxalyl dihydrazide, 3, 6-dihydrazine-1, 2, 4, 5-tetrazine, respectively, and their structures were characterized by FT-IR, NMR and elementary analysis. The single crystal of DNOBT-3-AT was cultivated, and its crystal structure was determined by X-ray crystallography. It is found that DNOBT-3-AT crystallizes in monoclinic system, space group P2(1)/c. Their physico-chemistry and detonation properties were calculated by Gaussian 09 program and Kamlet-Jacobs formula. Meanwhile, the thermal behaviors of the three compounds were studied with differential scanning calorimetry (DSC). Results show that the detonation velocities are 7736.4, 7729.56, 7974.64 m·s^-1, and the detonation pressures are 26.8, 26.74, 28.56 GPa, respectively. The first exothermic decomposition peak temperatures of DNOBT-3-AT, DNOBT-ODH and DNOBT-DHT are 276.54, 257.02, 154.15℃, respectively, which shows that DNOBT-3-AT has better thermal stability than DNOBT-ODH and DNOBT-DHT.