![1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone structure](/static/products/4780/478039-88-2.webp)
1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone
TL;DR: 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone (CAS 478039-88-2) is a chemical compound with molecular formula C12H12N4O and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidin-2-one
Also Known As: 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone, 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one, 1-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidin-2-one, 3R-0214, 1-[4-(2H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one
| Molecular Formula | C12H12N4O |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 1.5985 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.1011 |
| Heavy Atoms | 17 |
| Complexity | 517.9485 |
Chemical Identifiers
| CAS Number | 478039-88-2 |
|---|---|
| SMILES | C1CC(=O)N(C1)C2=CC=C(C=C2)C3=NC=NN3 |
Product Overview
1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone (CAS 478039-88-2), with molecular formula C12H12N4O and molecular weight 228.10 g/mol. IUPAC: 1-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidin-2-one.
Chemical Property Profile of 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone
Property Insights of 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone
The XLogP value of 1.5985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone. Following Lipinski's Rule of Five, 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone has 1 hydrogen bond donor(s) and 3 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-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone?
The CAS number of 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone is 478039-88-2.
What is the molecular formula of 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone?
The molecular formula of 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone is C12H12N4O.
What is the molecular weight of 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone?
The molecular weight of 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone is 228.10 g/mol.
Where can I buy 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone?
You can request a quote for 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(1H-1,2,4-triazol-3-yl)phenyl]-2-pyrrolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.