2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone
TL;DR: 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone (CAS 110996-75-3) is a chemical compound with molecular formula C9H13N5O3 and molecular weight 239.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone
Also Known As: BAS 00398104, 2-(3-nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone, 2-(3-nitro(1,2,4-triazolyl))-1-piperidylethan-1-one, 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-(piperidin-1-yl)ethanone, 2-(3-Nitro-[1,2,4]triazol-1-yl)-1-piperidin-1-yl-ethanone
| Molecular Formula | C9H13N5O3 |
|---|---|
| Molecular Weight | 239.10 g/mol |
| LogP | 0.1988 |
| Topological Polar Surface Area | 94.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.10184 |
| Heavy Atoms | 17 |
| Complexity | 424.02075 |
Chemical Identifiers
| CAS Number | 110996-75-3 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CN2C=NC(=N2)[N+](=O)[O-] |
Product Overview
2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone (CAS 110996-75-3), with molecular formula C9H13N5O3 and molecular weight 239.10 g/mol. IUPAC: 2-(3-nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone.
Chemical Property Profile of 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone
Property Insights of 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone
The XLogP value of 0.1988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone. The TPSA of 94.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone. Following Lipinski's Rule of Five, 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone has 0 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 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone?
The CAS number of 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone is 110996-75-3.
What is the molecular formula of 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone?
The molecular formula of 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone is C9H13N5O3.
What is the molecular weight of 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone?
The molecular weight of 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone is 239.10 g/mol.
Where can I buy 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone?
You can request a quote for 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitro-1,2,4-triazol-1-yl)-1-piperidin-1-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.