Incorporating explosophore groups such as nitro, dinitromethyl, and azo into furazan results in potential candidates for energetic materials applications. In this study, 3,3′-azofurazan was functionalized with fluorodinitromethyl (2) and dinitromethyl (3) moieties by fluorination and acidification of potassium 4,4′-bis(dinitromethyl)-3,3′-azofurazanate (1), respectively. In addition, 3 was converted to its ammonium (4), hydrazinium (5) and hydroxylammonium (7) salts. All the compounds were fully characterized by multinuclear NMR and IR spectra, and elemental analysis. Compounds 2 and 3 are further supported by X-ray crystallographic analysis. Electronic structures were also studied. In addition, physicochemical properties, such as thermal stability, density, and sensitivity were measured, and energetic properties (e.g., detonation velocities and detonation pressures) were calculated using EXPLO5 code.