TL;DR: 6-Phenyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 160427-36-1) is a chemical compound with molecular formula C14H9N5S and molecular weight 279.05786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 6-Phenyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, BAS 12975333, J2.041.438C, AE-641/15124003, 1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-phenyl-3-(3-pyridinyl)-
| Molecular Formula | C14H9N5S |
| Molecular Weight | 279.05786 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.05786 Da |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
| SMILES | C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CN=CC=C4 |
| InChIKey | PAFHDOHFSGBJCW-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Phenyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Phenyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 6-Phenyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-Phenyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 160427-36-1.
The molecular formula of 6-Phenyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C14H9N5S.
The molecular weight of 6-Phenyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 279.05786 g/mol.
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