![1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone structure](/static/products/4474/447409-41-8.webp)
1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone
TL;DR: 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone (CAS 447409-41-8) is a chemical compound with molecular formula C6H6N6O2 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]ethanone
Also Known As: 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone, 3824AE, 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]ethanone, 6-(Trifluoromethoxy)-1H-benzimidazol-2-amine, Ethanone,1-[1- -1H-1,2,3-triazol-4-yl]-
| Molecular Formula | C6H6N6O2 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.05522 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 447409-41-8 |
|---|---|
| SMILES | CC(=O)C1=CN(N=N1)C2=NON=C2N |
| InChIKey | RJYIYYUJZDJTNG-UHFFFAOYSA-N |
Product Overview
1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone (CAS 447409-41-8), with molecular formula C6H6N6O2 and molecular weight 194.06 g/mol. IUPAC: 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)triazol-4-yl]ethanone.
Chemical Property Profile of 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone
Property Insights of 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone
The XLogP value of -0.8 indicates that 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone. Following Lipinski's Rule of Five, 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone has 1 hydrogen bond donor(s) and 7 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-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone?
The CAS number of 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone is 447409-41-8.
What is the molecular formula of 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone?
The molecular formula of 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone is C6H6N6O2.
What is the molecular weight of 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone?
The molecular weight of 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone is 194.06 g/mol.
Where can I buy 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone?
You can request a quote for 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-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-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.