1-(1H-1,2,3-Triazol-4-yl)ethanone
TL;DR: 1-(1H-1,2,3-Triazol-4-yl)ethanone (CAS 6595-45-5) is a chemical compound with molecular formula C4H5N3O and molecular weight 111.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2H-triazol-4-yl)ethanone
Also Known As: acetyltriazole, 1-(1H-1,2,3-Triazol-4-yl)ethanone, 1-(2H-triazol-4-yl)ethanone, 4-acetyl-1,2,3-triazole, 1-(2H-1,2,3-Triazol-4-yl)ethanone
| Molecular Formula | C4H5N3O |
|---|---|
| Molecular Weight | 111.04 g/mol |
| LogP | 0.0073 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.04326 |
| Heavy Atoms | 8 |
| Complexity | 179.17331 |
Chemical Identifiers
| CAS Number | 6595-45-5 |
|---|---|
| SMILES | CC(=O)C1=NNN=C1 |
Product Overview
1-(1H-1,2,3-Triazol-4-yl)ethanone (CAS 6595-45-5), with molecular formula C4H5N3O and molecular weight 111.04 g/mol. IUPAC: 1-(2H-triazol-4-yl)ethanone.
Chemical Property Profile of 1-(1H-1,2,3-Triazol-4-yl)ethanone
Property Insights of 1-(1H-1,2,3-Triazol-4-yl)ethanone
The XLogP value of 0.0073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-1,2,3-Triazol-4-yl)ethanone. With a topological polar surface area (TPSA) of 58.64 Ų, 1-(1H-1,2,3-Triazol-4-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-1,2,3-Triazol-4-yl)ethanone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1H-1,2,3-Triazol-4-yl)ethanone?
The CAS number of 1-(1H-1,2,3-Triazol-4-yl)ethanone is 6595-45-5.
What is the molecular formula of 1-(1H-1,2,3-Triazol-4-yl)ethanone?
The molecular formula of 1-(1H-1,2,3-Triazol-4-yl)ethanone is C4H5N3O.
What is the molecular weight of 1-(1H-1,2,3-Triazol-4-yl)ethanone?
The molecular weight of 1-(1H-1,2,3-Triazol-4-yl)ethanone is 111.04 g/mol.
Where can I buy 1-(1H-1,2,3-Triazol-4-yl)ethanone?
You can request a quote for 1-(1H-1,2,3-Triazol-4-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-1,2,3-Triazol-4-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-1,2,3-Triazol-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.