Using 3-amino-4-(tert-butyl-NNO-azoxy) furazan (ABAoF) as starting material, 1-hydroxy-1H[-1, 2, 3] triazolo [4, 5-e] [1, 2, 3, 4] tetrazine 5, 7-dioxide (HTTDO) was synthesized by 5-steps reactions including diazotization, oximation, oxidation, amination and nitration cyclization, with a total yield of 24.1%. HTTDO and the associate dintermediates were characterized by FT-IR, NMR, mass spectrometry and elementary analysis. Further, the reaction mechanisms of amination and nitration cyclization were clarified. In this work, the single crystal of HTTDO·4.5H₂O was cultivated for the first time, and the crystal structure of which was determined by X-ray diffraction analysis, demonstrating that HTTDO·4.5H₂O crystallized in the orthorhombic space group Pna2(1). The physico-chemistry and detonation properties of HTTDO were calculated by Gaussian 09 program and Kam let-Jacobs formula. The detonation velocity of HTTDO was 9393 m·s^-1, and the detonation pressure was 41.9 GPa and the detonation heat was 8010 J·g^-1. In addition, the thermal behaviors of HTTDO were studied by differential scanning calorimetry (DSC). During the exothermic thermal decomposition process of HTTDO, a sharp peak occurred at 194.5 ℃.