1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione
TL;DR: 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione (CAS 4550-60-1) is a chemical compound with molecular formula C6H4N4O2 and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione
Also Known As: KST-1B4340, 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione, 1-(1h-1,2,4-triazol-5-yl)-1h-pyrrole-2,5-dione, 1H-Pyrrole-2, 1-(1H-1,2,4-triazol-3-yl)-, 1-(1H-1,2,4-Triazol-3-yl)-1H-pyrrole-2,5-dione
| Molecular Formula | C6H4N4O2 |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.03343 |
| Heavy Atoms | 12 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 4550-60-1 |
|---|---|
| SMILES | C1=CC(=O)N(C1=O)C2=NC=NN2 |
| InChIKey | HZZYNWBOIHMIGH-UHFFFAOYSA-N |
Product Overview
1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione (CAS 4550-60-1), with molecular formula C6H4N4O2 and molecular weight 164.03 g/mol. IUPAC: 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione.
Chemical Property Profile of 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione
Property Insights of 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione
The XLogP value of -0.6 indicates that 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione. Following Lipinski's Rule of Five, 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione has 1 hydrogen bond donor(s) and 4 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-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione?
The CAS number of 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione is 4550-60-1.
What is the molecular formula of 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione?
The molecular formula of 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione is C6H4N4O2.
What is the molecular weight of 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione?
The molecular weight of 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione is 164.03 g/mol.
Where can I buy 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione?
You can request a quote for 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-1,2,4-triazol-5-yl)pyrrole-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.