5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one
TL;DR: 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one (CAS 879639-17-5) is a chemical compound with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-acetylpiperazin-1-yl)-2H-1,2,4-triazin-3-one
Also Known As: 5-(4-acetylpiperazin-1-yl)-1,2,4-triazin-3(2H)-one, 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one, 5-(4-acetylpiperazin-1-yl)-2H-1,2,4-triazin-3-one
| Molecular Formula | C9H13N5O2 |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | -1.1666 |
| Topological Polar Surface Area | 82.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.10692 |
| Heavy Atoms | 16 |
| Complexity | 435.5255 |
Chemical Identifiers
| CAS Number | 879639-17-5 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=NC(=O)NN=C2 |
Product Overview
5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one (CAS 879639-17-5), with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol. IUPAC: 5-(4-acetylpiperazin-1-yl)-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one
Property Insights of 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one
The XLogP value of -1.1666 indicates that 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one. Following Lipinski's Rule of Five, 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one has 1 hydrogen bond donor(s) and 5 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 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one?
The CAS number of 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one is 879639-17-5.
What is the molecular formula of 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one?
The molecular formula of 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one is C9H13N5O2.
What is the molecular weight of 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one?
The molecular weight of 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one is 223.11 g/mol.
Where can I buy 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one?
You can request a quote for 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Acetylpiperazin-1-yl)-1,2,4-triazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.