1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone
TL;DR: 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone (CAS 151675-62-6) is a chemical compound with molecular formula C6H7N3O2 and molecular weight 153.05383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone
Also Known As: 3,5-Diacetyl-1H-1,2,4-triazole, 1,1'-(1H-1,2,4-triazole-3,5-diyl)diethanone, 3,5-diacetyl-1h-1,2,4-triazol, 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone, Ethanone, 1,1-(1H-1,2,4-triazole-3,5-diyl)bis- (9CI)
Technical Specifications
| Molecular Formula | C6H7N3O2 |
| Molecular Weight | 153.05383 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.05383 Da |
| Heavy Atoms | 11 |
| Complexity | 192.0 |
| SMILES | CC(=O)C1=NC(=NN1)C(=O)C |
| InChIKey | BSENWGNTNMQPEQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone
Property Insights of 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone. Following Lipinski's Rule of Five, 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone has 1 hydrogen bond donor(s) and 4 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-acetyl-1H-1,2,4-triazol-5-yl)ethanone?
The CAS number of 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone is 151675-62-6.
What is the molecular formula of 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone?
The molecular formula of 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone is C6H7N3O2.
What is the molecular weight of 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone?
The molecular weight of 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone is 153.05383 g/mol.
Where can I buy 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone?
You can request a quote for 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.