5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid
TL;DR: 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid (CAS 383142-90-3) is a chemical compound with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrrol-1-yl-1H-1,2,4-triazole-5-carboxylic acid
Also Known As: 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid, 3-pyrrol-1-yl-1H-1,2,4-triazole-5-carboxylic acid, KSC-20-094, 5-Pyrrol-1-yl-4H-1,2,4-triazole-3-carboxylic acid, 5-pyrrol-1-yl-2H-1,2,4-triazole-3-carboxylic Acid
| Molecular Formula | C7H6N4O2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 0.2936 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.04907 |
| Heavy Atoms | 13 |
| Complexity | 417.39423 |
Chemical Identifiers
| CAS Number | 383142-90-3 |
|---|---|
| SMILES | C1=CN(C=C1)C2=NNC(=N2)C(=O)O |
Product Overview
5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid (CAS 383142-90-3), with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol. IUPAC: 3-pyrrol-1-yl-1H-1,2,4-triazole-5-carboxylic acid.
Chemical Property Profile of 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid
Property Insights of 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid
The XLogP value of 0.2936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid has 2 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 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid?
The CAS number of 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid is 383142-90-3.
What is the molecular formula of 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid?
The molecular formula of 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid is C7H6N4O2.
What is the molecular weight of 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid?
The molecular weight of 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid is 178.05 g/mol.
Where can I buy 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid?
You can request a quote for 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.