Three novel cationic surfactants incorporated with 1,3,5-triethanolhexahydro-1,3,5-triazine moiety were prepared and characterized. The inhibition efficiency of the prepared surfactants toward the carbon steel in 1M HCl solution was investigated by weight loss, electrochemical polarization, and electrochemical impedance spectroscopy techniques. The maximum obtained efficiency was exhibited by N-dodecyl-1,3,5 tris (2-Hydroxypropane) 1,3,5 triazinyl N-dodecylammonium bromide (DODT) against the three used techniques. The efficiencies were 97.0%, 94.4%, and 91.07%, respectively. The surface active properties for these surfactants were investigated. The quantum chemical parameters were also calculated. The data was discussed in light of surface active, corrosion inhibition, and quantum chemical properties to characterize the adsorption mechanism.