Exploring a green and safe primary explosive to replace very toxic and sensitive lead azide and lead styphnate takes great efforts. Here, a series of polynitro-functionalized triazolylfurazanate energetic materials have been reported. These new compounds were fully characterized by infrared, multinuclear NMR spectra, mass spectra, elemental analysis, and differential scanning calorimetry measurements. The structure of mono-diaminoguanidinium salt () was determined by single-crystal X-ray diffraction. Inspired by the high pressurization rate and fast energy release in triaminoguanidinium salts, some suitability evaluation for primary explosives has been applied. Di(triaminoguanidinium) 3-nitramino-4-(3-(dinitromethanidyl)-1,2,4-triazol-5-yl)furazanate exhibits an excellent gas-generating capability ( = 9.03 Mpa) and combustion performance (d/d = 201.5 GPa s) close to fast thermite Al/CuO ( = 8.49 Mpa, d/d = 252.2 GPa s). Moreover, the good initiation capacity (60 mg for 500 mg RDX) coupled with insensitivity in this compound (IS = 17.4 J, FS = 240 N, ESD > 0.225 J) make it a promising green and insensitive primary explosive.
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