TL;DR: 1-Propanone, 2-hydroxy-1,2-di-2-pyridinyl-3-(1H-1,2,4-triazol-1-yl)- (CAS 107658-96-8) is a chemical compound with molecular formula C15H13N5O2 and molecular weight 295.10693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one
Also Known As: 1-Propanone, 2-hydroxy-1,2-di-2-pyridinyl-3-(1H-1,2,4-triazol-1-yl)-, 3-trifluoromethanesulfonyloxybenzoic acid methyl ester, 2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one, 2-hydroxy-1,2-bis(2-pyridyl)-3-(1,2,4-triazol-1-yl)propan-1-one, 2-Hydroxy-1,2-di(pyridin-2-yl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one
| Molecular Formula | C15H13N5O2 |
| Molecular Weight | 295.10693 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.10693 Da |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
| SMILES | C1=CC=NC(=C1)C(=O)C(CN2C=NC=N2)(C3=CC=CC=N3)O |
| InChIKey | QKIHBOAEBBTGJI-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 2-hydroxy-1,2-di-2-pyridinyl-3-(1H-1,2,4-triazol-1-yl)-. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanone, 2-hydroxy-1,2-di-2-pyridinyl-3-(1H-1,2,4-triazol-1-yl)-. Following Lipinski's Rule of Five, 1-Propanone, 2-hydroxy-1,2-di-2-pyridinyl-3-(1H-1,2,4-triazol-1-yl)- has 1 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 1-Propanone, 2-hydroxy-1,2-di-2-pyridinyl-3-(1H-1,2,4-triazol-1-yl)- is 107658-96-8.
The molecular formula of 1-Propanone, 2-hydroxy-1,2-di-2-pyridinyl-3-(1H-1,2,4-triazol-1-yl)- is C15H13N5O2.
The molecular weight of 1-Propanone, 2-hydroxy-1,2-di-2-pyridinyl-3-(1H-1,2,4-triazol-1-yl)- is 295.10693 g/mol.
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