1-Acetyl-1,2,4-triazole
TL;DR: 1-Acetyl-1,2,4-triazole (CAS 15625-88-4) 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-(1,2,4-triazol-1-yl)ethanone
Also Known As: 1-Acetyl-1,2,4-triazole, 1-(1H-1,2,4-triazol-1-yl)ethan-1-one, 1-(1H-1,2,4-Triazol-1-yl)ethanone, 1-(1,2,4-triazol-1-yl)ethanone, N-acetyl-1,2,4-triazol
| Molecular Formula | C4H5N3O |
|---|---|
| Molecular Weight | 111.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.04326 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 15625-88-4 |
|---|---|
| SMILES | CC(=O)N1C=NC=N1 |
| InChIKey | GLGDTYAVPSJOSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetyl-1,2,4-triazole (CAS 15625-88-4), with molecular formula C4H5N3O and molecular weight 111.04 g/mol. IUPAC: 1-(1,2,4-triazol-1-yl)ethanone.
Chemical Property Profile of 1-Acetyl-1,2,4-triazole
Property Insights of 1-Acetyl-1,2,4-triazole
The XLogP value of -0.1 indicates that 1-Acetyl-1,2,4-triazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.8 Ų, 1-Acetyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-1,2,4-triazole 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
Frequently Asked Questions
What is the CAS number of 1-Acetyl-1,2,4-triazole?
The CAS number of 1-Acetyl-1,2,4-triazole is 15625-88-4.
What is the molecular formula of 1-Acetyl-1,2,4-triazole?
The molecular formula of 1-Acetyl-1,2,4-triazole is C4H5N3O.
What is the molecular weight of 1-Acetyl-1,2,4-triazole?
The molecular weight of 1-Acetyl-1,2,4-triazole is 111.04 g/mol.
Where can I buy 1-Acetyl-1,2,4-triazole?
You can request a quote for 1-Acetyl-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.