As highly privileged heterocyclic scaffolds, 1, 2, 4-triazoles have many uses in the fields of
biology, pharmacology, and materials science (Gulyaev et al., 2021; Brandt et al., 2007; Cai …

Bromo-2-fluorophenyl)-2-pyrazinylmethanone is an important organic intermediate in
medicinal chemistry. The title compound was obtained herein by an unreported synthetic …

In this study, the important application areas of triazoles have increased the interest in
studies related to them. In this study, the structural parameters, vibrational frequency, the …

CrystalExplorer program is a program that has been used frequently in the field of theoretical
chemistry in recent years and its popularity has increased. First of all, Hirshfeld surface …

In the present theoretical study, the 2-[1-acetyl-3-methyl-4, 5-dihydro-1H-1, 2, 4-triazol-5-one-
4-yl]-phenoxyacetic acide was optimized by B3PW91 and HF methods 6-311+ G (dp) basis …

In this study, theoretically spectral values of 2-(3-methyl-4, 5-dihydro-1H-1, 2, 4-triazol-5-one-
4-yl-azomethine)-phenyl cinnamate was calculated according to Gaussian G09W software …

In this study, the structural parameters, the electronic energy, the dipole moment (μ), the
highest occupied molecular orbital (HOMO) energy, the lowest unoccupied molecular orbital …

In this study, 3-Benzyl-4-(3-ethoxy-2-(4-toluenesulfonlyoxy)-benzlyideneamino]-4, 5-dihydro-
1H-1, 2, 4-triazol-5-one was theoretically investigated. Initialy, the molecule was optimized …

The potential organic electroluminescent properties of 4, 5-dihydro-1H-1, 2, 4-triazol-5-one
derivatives that have recently attracted much of the scientists' interest is discussed. The …

In this study, the quantum chemical computations of 3-(p-methoxybenzyl)-4-(4-
hydroxybenzylidenamino)-4, 5-dihydro-1H-1, 2, 4-triazol-5-one that is a triazole derivaties …