![1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one structure](/static/products/866/866142-78-1.png)
1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
TL;DR: 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one (CAS 866142-78-1) is a chemical compound with molecular formula C12H15N7O and molecular weight 273.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
Also Known As: 8X-0859, 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one, 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone, 1-[4-(2-pyrimidinyl)piperazino]-2-(1H-1,2,4-triazol-1-yl)-1-ethanone
| Molecular Formula | C12H15N7O |
|---|---|
| Molecular Weight | 273.13 g/mol |
| LogP | -0.5831 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.13382 |
| Heavy Atoms | 20 |
| Complexity | 548.4495 |
Chemical Identifiers
| CAS Number | 866142-78-1 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C=NC=N3 |
Product Overview
1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one (CAS 866142-78-1), with molecular formula C12H15N7O and molecular weight 273.13 g/mol. IUPAC: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone.
Chemical Property Profile of 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
Property Insights of 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
The XLogP value of -0.5831 indicates that 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one. Following Lipinski's Rule of Five, 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one 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-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
The CAS number of 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one is 866142-78-1.
What is the molecular formula of 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
The molecular formula of 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one is C12H15N7O.
What is the molecular weight of 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
The molecular weight of 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one is 273.13 g/mol.
Where can I buy 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
You can request a quote for 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-(1H-1,2,4-triazol-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.