TL;DR: 6-(3-Pyridinyl)-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 143700-72-5) is a chemical compound with molecular formula C13H8N6S and molecular weight 280.0531 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-pyridin-3-yl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 10123852, 6-(3-pyridinyl)-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/41329010, 6-pyridin-3-yl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(pyridin-3-yl)-3-(pyridin-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C13H8N6S |
| Molecular Weight | 280.0531 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 97.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.0531 Da |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
| SMILES | C1=CC(=CN=C1)C2=NN3C(=NN=C3S2)C4=CC=NC=C4 |
| InChIKey | RQFYXKLSPDLOPX-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3-Pyridinyl)-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3-Pyridinyl)-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 6-(3-Pyridinyl)-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-(3-Pyridinyl)-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 143700-72-5.
The molecular formula of 6-(3-Pyridinyl)-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C13H8N6S.
The molecular weight of 6-(3-Pyridinyl)-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 280.0531 g/mol.
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