Triazines, Tetrazines, and Fused Ring Polyaza Systems

DFT, hirshfeld and molecular docking studies of a hybrid compound - 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate as a promising anti -breast cancer agent

“…Computational studies for π -π interactions of several electron-deficient systems, including 1,3,5-triazines and tetrazines, were conducted. The 2,4,6-triamino-1,3,5-triazines' significant affinity for graphite was demonstrated by DFT simulations, and the driving force for adsorption is an attractive contact between the amino groups and the underlying surface [ 4 ]. The triazines are among of the earliest organic heterocycles with nitrogen that are known to science.…”