The synthesis, energetic properties and development of the triazines′ energetic materials were summarized in the paper. The study on triazines′ energetic compounds can be divided into experimental studies and theoretical calculations. The structure and predicted performance of triazine compounds, based on density functional theory were collected and reviewed. The relationship between properties and structures of substituents on triazine ring was analysed, and the performance of the theoretical prediction was introduced. The prospects of the triazine-containing compounds in the field of energetic materials were looked forward with 48 references.