Corrosion inhibition potential of three synthesized benzotriazole (BTA) derivatives namely, 1‐(prop‐2‐yn‐1‐yl)‐1H‐benzotriazole (Inh 1), 2‐[2‐(1H‐benzotriazol‐1‐yl)ethyl]‐1H‐isoindole‐1,3(2H)‐dione (Inh 2) and 1‐(4‐nitrobenzyl)‐1H‐1,2,3‐benzotriazole (Inh 3), on brass C68700 in NaCl 3 % was evaluated using potentiodynamic method. The results show that the examined molecules are good inhibitors for brass and behave as mixed type inhibitors. Inhibition efficiency (IE %) increases with the inhibitors concentration to reach 80.89 %, 83.70 % and 92.13 % at 15 ppm for Inh 1, Inh 2 and Inh 3 respectively. Additionally, the calculated DFT descriptors are in good agreement with the experimental inhibition efficiencies.