TL;DR: 3-(3-Chlorophenyl)-6-(2-pyrazinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 825606-23-3) is a chemical compound with molecular formula C13H7ClN6S and molecular weight 314.01413 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-chlorophenyl)-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(3-chlorophenyl)-6-(2-pyrazinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43113687, 3-(3-chlorophenyl)-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 2-[3-(3-CHLOROPHENYL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL]PYRAZINE, 3-(3-chlorophenyl)-6-(pyrazin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C13H7ClN6S |
| Molecular Weight | 314.01413 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 97.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.01413 Da |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
| SMILES | C1=CC(=CC(=C1)Cl)C2=NN=C3N2N=C(S3)C4=NC=CN=C4 |
| InChIKey | LJIAYYXONWXNHH-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chlorophenyl)-6-(2-pyrazinyl)[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 3-(3-Chlorophenyl)-6-(2-pyrazinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-(3-Chlorophenyl)-6-(2-pyrazinyl)[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 3-(3-Chlorophenyl)-6-(2-pyrazinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 825606-23-3.
The molecular formula of 3-(3-Chlorophenyl)-6-(2-pyrazinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C13H7ClN6S.
The molecular weight of 3-(3-Chlorophenyl)-6-(2-pyrazinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 314.01413 g/mol.
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