TL;DR: 1-(7-(1-ethyl-1H-pyrazol-4-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone (CAS 1005642-89-6) is a chemical compound with molecular formula C13H16N6O and molecular weight 272.13855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[7-(1-ethylpyrazol-4-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
Also Known As: 1-(7-(1-ethyl-1H-pyrazol-4-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone, F3412-0041, 1-[7-(1-ethyl-1H-pyrazol-4-yl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one, 1-[7-(1-ethylpyrazol-4-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone, 1-[2-(1-ethylpyrazol-4-yl)-4-methyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-3-yl]ethanone
| Molecular Formula | C13H16N6O |
| Molecular Weight | 272.13855 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 77.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.13855 Da |
| Heavy Atoms | 20 |
| Complexity | 437.0 |
| SMILES | CCN1C=C(C=N1)C2C(=C(NC3=NC=NN23)C)C(=O)C |
| InChIKey | HVARPEDKDVHUNR-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(7-(1-ethyl-1H-pyrazol-4-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(7-(1-ethyl-1H-pyrazol-4-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone. Following Lipinski's Rule of Five, 1-(7-(1-ethyl-1H-pyrazol-4-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone has 1 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 1-(7-(1-ethyl-1H-pyrazol-4-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is 1005642-89-6.
The molecular formula of 1-(7-(1-ethyl-1H-pyrazol-4-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is C13H16N6O.
The molecular weight of 1-(7-(1-ethyl-1H-pyrazol-4-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone is 272.13855 g/mol.
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