Abstract: Plutonium is an important nuclear material. The chemical reaction of reducing reagents with Pu(Ⅳ) is one of the key influencing factors in the development of reducing reagents in technetium scrubbing stage. It is usually required to react little with hydrazine. In order to establish a good quantitative structure-activity relationship between the reaction of Pu(Ⅳ) and hydrazine derivatives, the characteristic parameters of the reaction were found to provide support for the subsequent work. In this paper, the PLS-Bootstrap method and the stepwise regression method were used to study the quantitative structure-activity relationship of the reaction, and the cross-test and external test were used to verify the model. Based on the hydrophobic parameter as the characteristic parameter of the reaction, it is obtained that the highest occupied orbital energy is another characteristic parameter of the reaction, and the larger the value of the hydrophobic parameter and the highest occupied orbital energy are, the slower the reaction proceeds.