5-methyl-2H-1,2,3-triazole-4-carboxylic acid
TL;DR: 5-methyl-2H-1,2,3-triazole-4-carboxylic acid (CAS 89166-02-9) 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.
5-methyl-2H-triazole-4-carboxylic acid
Also Known As: 5-Methyl-1H-1,2,3-triazole-4-carboxylic acid, 5-methyl-2H-1,2,3-triazole-4-carboxylic acid, 5-methyl-2H-triazole-4-carboxylic acid, 4-METHYL-1H-1,2,3-TRIAZOLE-5-CARBOXYLIC ACID, 4-carboxy-5-methyl-1,2,3-triazole
| Molecular Formula | C4H5N3O2 |
|---|---|
| Molecular Weight | 127.04 g/mol |
| LogP | -0.18868 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.03818 |
| Heavy Atoms | 9 |
| Complexity | 229.47154 |
Chemical Identifiers
| CAS Number | 89166-02-9 |
|---|---|
| SMILES | CC1=NNN=C1C(=O)O |
Product Overview
5-methyl-2H-1,2,3-triazole-4-carboxylic acid (CAS 89166-02-9), with molecular formula C4H5N3O2 and molecular weight 127.04 g/mol. IUPAC: 5-methyl-2H-triazole-4-carboxylic acid.
Chemical Property Profile of 5-methyl-2H-1,2,3-triazole-4-carboxylic acid
Property Insights of 5-methyl-2H-1,2,3-triazole-4-carboxylic acid
The XLogP value of -0.18868 indicates that 5-methyl-2H-1,2,3-triazole-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-2H-1,2,3-triazole-4-carboxylic acid. Following Lipinski's Rule of Five, 5-methyl-2H-1,2,3-triazole-4-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-methyl-2H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 5-methyl-2H-1,2,3-triazole-4-carboxylic acid is 89166-02-9.
What is the molecular formula of 5-methyl-2H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 5-methyl-2H-1,2,3-triazole-4-carboxylic acid is C4H5N3O2.
What is the molecular weight of 5-methyl-2H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 5-methyl-2H-1,2,3-triazole-4-carboxylic acid is 127.04 g/mol.
Where can I buy 5-methyl-2H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for 5-methyl-2H-1,2,3-triazole-4-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-methyl-2H-1,2,3-triazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-2H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.