TL;DR: 3,6-Diphenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 126114-49-6) is a chemical compound with molecular formula C15H12N4S and molecular weight 280.07828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6-diphenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3,6-diphenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 1-tert-butoxycarbonyl-5-ethoxycarbonyl-1,2,3,6-tetrahydropyridine, 3,6-diphenyl-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadia, 3,6-diphenyl-5,6-dihydro[1,2,4]tri-azolo[3,4-b][1,3,4]thiadiazole, 3,6-diphenyl-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (en)1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 5,6-dihydro-3,6-diphenyl- (en)
| Molecular Formula | C15H12N4S |
| Molecular Weight | 280.07828 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.07828 Da |
| Heavy Atoms | 20 |
| Complexity | 328.0 |
| SMILES | C1=CC=C(C=C1)C2NN3C(=NN=C3S2)C4=CC=CC=C4 |
| InChIKey | HLZBXGWXQRGSQO-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 3,6-Diphenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Diphenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3,6-Diphenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,6-Diphenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 126114-49-6.
The molecular formula of 3,6-Diphenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C15H12N4S.
The molecular weight of 3,6-Diphenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 280.07828 g/mol.
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