TL;DR: 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE (CAS 1004470-80-7) is a chemical compound with molecular formula C12H18N6OS and molecular weight 294.12628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylacetamide
Also Known As: 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylacetamide
| Molecular Formula | C12H18N6OS |
| Molecular Weight | 294.12628 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.12628 Da |
| Heavy Atoms | 20 |
| Complexity | 402.0 |
| SMILES | CN(C(=O)CSC1=NNC(=N1)N)C2(CCCCC2)C#N |
| InChIKey | SPJAZIGXAJBWRH-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE. Following Lipinski's Rule of Five, 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE has 2 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 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE is 1004470-80-7.
The molecular formula of 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE is C12H18N6OS.
The molecular weight of 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE is 294.12628 g/mol.
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