TL;DR: 3-[(2-methoxyethyl)sulfanyl]-1H-1,2,4-triazol-5-amine (CAS 121062-45-1) is a chemical compound with molecular formula C5H10N4OS and molecular weight 174.05753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methoxyethylsulfanyl)-1H-1,2,4-triazol-5-amine
Also Known As: 3-[(2-methoxyethyl)sulfanyl]-1H-1,2,4-triazol-5-amine, 3-((2-methoxyethyl)thio)-1H-1,2,4-triazol-5-amine, 3-(2-methoxyethylsulfanyl)-1H-1,2,4-triazol-5-amine, 5-(2-methoxyethylsulfanyl)-2H-1,2,4-triazol-3-amine
| Molecular Formula | C5H10N4OS |
| Molecular Weight | 174.05753 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.05753 Da |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
| SMILES | COCCSC1=NNC(=N1)N |
| InChIKey | BORZNWOZTMNVRQ-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-methoxyethyl)sulfanyl]-1H-1,2,4-triazol-5-amine. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-methoxyethyl)sulfanyl]-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 3-[(2-methoxyethyl)sulfanyl]-1H-1,2,4-triazol-5-amine has 2 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-[(2-methoxyethyl)sulfanyl]-1H-1,2,4-triazol-5-amine is 121062-45-1.
The molecular formula of 3-[(2-methoxyethyl)sulfanyl]-1H-1,2,4-triazol-5-amine is C5H10N4OS.
The molecular weight of 3-[(2-methoxyethyl)sulfanyl]-1H-1,2,4-triazol-5-amine is 174.05753 g/mol.
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