TL;DR: 3-(4-Chlorophenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 151297-76-6) is a chemical compound with molecular formula C14H8ClN5S and molecular weight 313.0189 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 12975007, 3-(4-chlorophenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/41329090, 3-(4-chlorophenyl)-6-(3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, [1,2,4]Triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-chlorophenyl)-6-(3-pyridinyl)-
| Molecular Formula | C14H8ClN5S |
| Molecular Weight | 313.0189 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.0189 Da |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
| SMILES | C1=CC(=CN=C1)C2=NN3C(=NN=C3S2)C4=CC=C(C=C4)Cl |
| InChIKey | MCSCHLQUAKYKKZ-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 3-(4-Chlorophenyl)-6-pyridin-3-yl-[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 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-6-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 3-(4-Chlorophenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 151297-76-6.
The molecular formula of 3-(4-Chlorophenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C14H8ClN5S.
The molecular weight of 3-(4-Chlorophenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 313.0189 g/mol.
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