21383-24-4Relevant articles and documents
Synthesis, crystal structures and spectroscopic properties of triazine-based hydrazone derivatives; a comparative experimental-theoretical study
Arshad, Muhammad Nadeem,Bibi, Aisha,Mahmood, Tariq,Asiri, Abdullah M.,Ayub, Khurshid
, p. 5851 - 5874 (2015)
We report here a comparative theoretical and experimental study of four triazine-based hydrazone derivatives. The hydrazones are synthesized by a three step process from commercially available benzil and thiosemicarbazide. The structures of all compounds were determined by using the UV-Vis., FT-IR, NMR (1H and 13C) spectroscopic techniques and finally confirmed unequivocally by single crystal X-ray diffraction analysis. Experimental geometric parameters and spectroscopic properties of the triazine based hydrazones are compared with those obtained from density functional theory (DFT) studies. The model developed here comprises of geometry optimization at B3LYP/6-31G (d, p) level of DFT. Optimized geometric parameters of all four compounds showed excellent correlations with the results obtained from X-ray diffraction studies. The vibrational spectra show nice correlations with the experimental IR spectra. Moreover, the simulated absorption spectra also agree well with experimental results (within 10-20 nm). The molecular electrostatic potential (MEP) mapped over the entire stabilized geometries of the compounds indicated their chemical reactivates. Furthermore, frontier molecular orbital (electronic properties) and first hyperpolarizability (nonlinear optical response) were also computed at the B3LYP/6-31G (d, p) level of theory.
Multi-target inhibitors against Alzheimer disease derived from 3-hydrazinyl 1,2,4-triazine scaffold containing pendant phenoxy methyl-1,2,3-triazole: Design, synthesis and biological evaluation
Yazdani, Mahnaz,Edraki, Najmeh,Badri, Rashid,Khoshneviszadeh, Mehdi,Iraji, Aida,Firuzi, Omidreza
, p. 363 - 371 (2019)
Alzheimer's disease (AD) is a complex neurological disorder with diverse underlying pathological processes. Several lines of evidence suggest that BACE1 is a key enzyme in the pathogenesis of AD and its inhibition is of particular importance in AD treatme
Synthesis and antitumor activity of new 1,2,4-triazine and [1,2,4]triazolo[4,3-b][1,2,4]triazine derivatives and their thioglycoside and acyclic C-nucleoside analogs
El-Sayed, Wael A.,Nassar, Ibrahim F.,Abdel-Rahman, Adel A.-H.
, p. 135 - 143 (2011/03/21)
New 1,2,4-triazine and their derived 1,2,4-triazolo[3,4-b][1,2,4]triazine derivatives were synthesized starting from 5,6-diphenyl-1,2,4-triazine-3-thiol. Furthermore, the corresponding 1,2,4-triazolo[3,4-b][1,2,4]-triazine thioglycosides and acyclic C-nuc