The enthalpies of combustion (ΔcombH) of dinitrobiuret (DNB) and diaminotetrazolium nitrate (HDAT-NO3) were determined experimentally using oxygen bomb calorimetry: ΔcombH(DNB)=5195±200 kJ kg−1, ΔcombH(HDAT-NO3)=7900±300 kJ kg−1. The standard enthalpies of formation (ΔfH°) of DNB and HDAT-NO3 were obtained on the basis of quantum chemical computations at the electron-correlated ab initio MP2 (second order Møller-Plesset perturbation theory) level of theory using a correlation consistent double-zeta basis set (cc-pVTZ): ΔfH°(DNB)=−353 kJ mol−1, −1 829 kJ kg−1; ΔfH°(HDAT-NO3)=+254 kJ mol−1, +1 558 kJ kg−1. The detonation velocities (D) and detonation pressures (P) of DNB and HDAT-NO3 were calculated using the empirical equations by Kamlet and Jacobs: D(DNB)=8.66 mm μs−1, P(DNB)=33.9 GPa, D(HDAT-NO3)=8.77 mm μs−1, P(HDAT-NO3)=33.3 GPa.