1,2,4-Triazole-1-acetic acid
TL;DR: 1,2,4-Triazole-1-acetic acid (CAS 849035-97-8) is a chemical compound with molecular formula C4H5N3O2 and molecular weight 127.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,4-triazol-1-yl)acetic acid
Also Known As: 1,2,4-Triazole-1-acetic acid, 1H-1,2,4-Triazole-1-acetic acid, 2-(1H-1,2,4-Triazol-1-yl)acetic acid, null, triazole acetic acid
| Molecular Formula | C4H5N3O2 |
|---|---|
| Molecular Weight | 127.04 g/mol |
| LogP | -0.6373 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.03818 |
| Heavy Atoms | 9 |
| Complexity | 193.58748 |
Chemical Identifiers
| CAS Number | 849035-97-8 |
|---|---|
| SMILES | C1=NN(C=N1)CC(=O)O |
Product Overview
1,2,4-Triazole-1-acetic acid (CAS 849035-97-8), with molecular formula C4H5N3O2 and molecular weight 127.04 g/mol. IUPAC: 2-(1,2,4-triazol-1-yl)acetic acid.
Chemical Property Profile of 1,2,4-Triazole-1-acetic acid
Property Insights of 1,2,4-Triazole-1-acetic acid
The XLogP value of -0.6373 indicates that 1,2,4-Triazole-1-acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazole-1-acetic acid. Following Lipinski's Rule of Five, 1,2,4-Triazole-1-acetic acid 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 1,2,4-Triazole-1-acetic acid?
The CAS number of 1,2,4-Triazole-1-acetic acid is 849035-97-8.
What is the molecular formula of 1,2,4-Triazole-1-acetic acid?
The molecular formula of 1,2,4-Triazole-1-acetic acid is C4H5N3O2.
What is the molecular weight of 1,2,4-Triazole-1-acetic acid?
The molecular weight of 1,2,4-Triazole-1-acetic acid is 127.04 g/mol.
Where can I buy 1,2,4-Triazole-1-acetic acid?
You can request a quote for 1,2,4-Triazole-1-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazole-1-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazole-1-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.