###### Abstract  
Fourteen triazole benzoic acid hybrids were previously characterized. This work aimed to screen their in vitro antioxidant activity using different assays, i.e., DPPH (1,1-diphenyl-1-picrylhydrazyl), reducing the power capability, FRAP (terric reducing antioxidants power) and ABTS (2,2\({}^{\prime}\)-azino-bis(3-ethylben zothiaroline-6-sulfonate) radical scavenging. The 14 compounds showed antioxidant properties in relation to standard BHA (butylated hydroxylanisole) and Trolox (6-hydroxy-2,5,7-8-tetramethylchroman-2-carboxylic acid). Higher antioxidant activity was observed by the parent (**1**) at a concentration of 100 mg/mL (89.95 \(\pm\) 0.34 and 88.59 \(\pm\) 0.13%) when tested by DPPH and ABTS methods in relation to BHA at 100 mg/mL (95.02 \(\pm\) 0.74 and 96.18 \(\pm\) 0.33%). The parent (**2**) demonstrated remarkable scavenging activity when tested by ABTS (62.00 \(\pm\) 0.24%), however, 3 was less active (29.98 \(\pm\) 0.13%). Compounds **5**, **6**, **9**, and **11** exhibited good scavenging activity compared to **1**. DFT studies were performed using the B3 LYP/6-311++g (2d,2p) level of theory to evaluate different antioxidant descriptors for the targets. Three antioxidant mechanisms, i.e., hydrogen atom transfer (HAT), sequential electron transfer proton transfer (SETPT) and sequential proton loss electron transfer (SPLET) were suggested to describe the antioxidant properties of **1-14**. Out of the 14 triazole benzoic acid hybrids, **5**, **9**, **6**, and **11** showed some good theoretical results, which were in agreement with some experimental outcomes. Based on the computed (PA and ETE) and (BDE and IP) values in (SPLET) and (HAT and SETPT) mechanisms, respectively, compound **9** emerged has having good antioxidant activity. Keywords:triazole derivatives; DPPH; reducing power; FRAP; ABTS; DFT and SPLET mechanism  
quinazoline, pyridine, pyrimidine, thiophene, and benzene into the triazole entity using developing synthetic approaches to elaborate a library of triazole derivatives with different bioactivities. A literature survey revealed that numerous available clinical drugs, such as antifungal agents (fluconazole, posaconazole itraconazole, voriconazole, and ravuconazole) and antiviral (ribavirin), anti-migraine and headache (rizatriptan), antixxiety disorders (alprazol) and tranquilizer (estazolam) originated from a triazole entity [26]. Triazole structure-activity relationship studies identified the correlation of their specific structural features (dipole moment character, H-bonding capability, rigidity, and in vivo/vitro stability conditions) with their pharmacological targets. It was reported that triazole-bridged benzoheterazole dendrimers with a bisphenol/benzophenone core unit have shown antioxidant properties in relation to those of ascorbic acid as a reference drug when evaluated by ABTS and DPPH assays [27]. Hybridization of 1,2,3-triazole pharmacodynamic moiety with hydrazide, carbonitrile, and hydrazone units was positively influenced on free radical scavenging activity, and showed the best anticancer effects [28; 29]. The Schiff bases of 4-aminotriazole derivatives demonstrated potential free radical scavenger effects, whereas the N-substituted triazole attached indole/chalcone hybrids and 1,2,4-triazole-3-thiones reported to exhibit significant antioxidant activity on DPPH radicals and were found to be potent anticancer agents [30; 31]. Incorporation of 1,2,4-triazole ring with quinazoline and pyridopyrimidine units was proved to be favorable for the antioxidant and cytotoxicity activities [32; 33; 34]. Throughout our research, we have noticed that the 1,2,4-triazole or 1,2,3-triazole derivatives showed antioxidant properties [28; 29; 30; 31; 32; 33; 34; 35] and demonstrated cytotoxic activity as well.