Six previously known anthraquinones with amino derivatives and synthesized new triazene (1-[(1E)-3,3-bis(2-hydroxyethyl)triaz-1-en-1-ol]-4-[(2-hydroxyethyl)amino]anthracene-9,10-dione) were evaluated in-silico as inhibitors of COVID-19 main protease. The structures of the synthesized compound were confirmed by IR, 1H, 13C NMR, and LC-MS spectral studies. Chemo-informatics study showed that the compound obeyed Lipinski's rule, PASS, Swiss ADME. Computational docking analysis was performed using PyRx, and AutoDock Vina options based on scoring functions. In-silico molecular docking study results demonstrated Greater binding energy and affinity to the active pocket of the N3 binding site of the Coronavirus primary protease.