1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
TL;DR: 1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone (CAS 354151-61-4) is a chemical compound with molecular formula C15H18N6O3 and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
Also Known As: BAS 00535152, BIM-0028166.P001, 1-(4-benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone, 2-(3-nitro(1,2,4-triazolyl))-1-[4-benzylpiperazinyl]ethan-1-one, 1-(4-Benzyl-piperazin-1-yl)-2-(3-nitro-[1,2,4]triazol-1-yl)-ethanone
| Molecular Formula | C15H18N6O3 |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 0.5307 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.14404 |
| Heavy Atoms | 24 |
| Complexity | 709.0093 |
Chemical Identifiers
| CAS Number | 354151-61-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C=NC(=N3)[N+](=O)[O-] |
Product Overview
1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone (CAS 354151-61-4), with molecular formula C15H18N6O3 and molecular weight 330.14 g/mol. IUPAC: 1-(4-benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone.
Chemical Property Profile of 1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
Property Insights of 1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
The XLogP value of 0.5307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone. Following Lipinski's Rule of Five, 1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone has 0 hydrogen bond donor(s) and 6 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-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
The CAS number of 1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone is 354151-61-4.
What is the molecular formula of 1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
The molecular formula of 1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone is C15H18N6O3.
What is the molecular weight of 1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
The molecular weight of 1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone is 330.14 g/mol.
Where can I buy 1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
You can request a quote for 1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-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-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Benzylpiperazin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.