Aiming at the safety problem of explosive charge penetration, select high content Nitrogen energetic compound TKX-50 and HMX as the high explosive, design the explosive formulations with the same metal content and adhesive system, and carry out explosive penetrating reinforced concrete test. The research results show that the under environment conditions, TKX-50 charging response is lower than HMX. Its XDT process is longer than HMX. The high explosive containing TKX-50 has longer process of XDT (unknown mechanism to detonation transition) than HMX for the molecule structure of TKX-50. The reason for XDT process improvement is that TKX-50 takes five-member heterocycle as surface bone, introduces C-N, N-N, C=N and N=N key, breaks through the explosive (N-NO2, C-NO2, O-NO2) limitation and generate Π bond and hydrogen bond.