1-(3,5,6-Trimethylpyrazin-2-yl)ethanone
TL;DR: 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone (CAS 125186-38-1) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,5,6-trimethylpyrazin-2-yl)ethanone
Also Known As: 1-(3,5,6-trimethylpyrazin-2-yl)ethanone, 2-Acetyl-3,4,6-trimethylpyrazine, 3,5,6-Trimethyl-2-acetylpyrazine, Ethanone, 1-(trimethylpyrazinyl)-, Ethanone, 1-(trimethylpyrazinyl)- (9CI)
Technical Specifications
| Molecular Formula | C9H12N2O |
| Molecular Weight | 164.09496 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.09496 Da |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
| SMILES | CC1=C(N=C(C(=N1)C)C(=O)C)C |
| InChIKey | HTNWCVJHJDVKBT-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone
Property Insights of 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone. With a topological polar surface area (TPSA) of 42.9 Ų, 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone?
The CAS number of 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone is 125186-38-1.
What is the molecular formula of 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone?
The molecular formula of 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone is C9H12N2O.
What is the molecular weight of 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone?
The molecular weight of 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone is 164.09496 g/mol.
Where can I buy 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone?
You can request a quote for 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(3,5,6-Trimethylpyrazin-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.