dimethyl-1H-1,2,3-triazole-4-carboxylic acid
TL;DR: dimethyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 329064-07-5) is a chemical compound with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyltriazole-4-carboxylic acid
Also Known As: 1,5-dimethyl-1H-1,2,3-triazole-4-carboxylic acid, 1,5-dimethyltriazole-4-carboxylic acid, dimethyl-1H-1,2,3-triazole-4-carboxylic acid, 1,5-DIMETHYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLICACID, 1H-1,2,3-triazole-4-carboxylic acid, 1,5-dimethyl-
| Molecular Formula | C5H7N3O2 |
|---|---|
| Molecular Weight | 141.05 g/mol |
| LogP | -0.17828 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.05383 |
| Heavy Atoms | 10 |
| Complexity | 265.8568 |
Chemical Identifiers
| CAS Number | 329064-07-5 |
|---|---|
| SMILES | CC1=C(N=NN1C)C(=O)O |
Product Overview
dimethyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 329064-07-5), with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol. IUPAC: 1,5-dimethyltriazole-4-carboxylic acid.
Chemical Property Profile of dimethyl-1H-1,2,3-triazole-4-carboxylic acid
Property Insights of dimethyl-1H-1,2,3-triazole-4-carboxylic acid
The XLogP value of -0.17828 indicates that dimethyl-1H-1,2,3-triazole-4-carboxylic 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 dimethyl-1H-1,2,3-triazole-4-carboxylic acid. Following Lipinski's Rule of Five, dimethyl-1H-1,2,3-triazole-4-carboxylic 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 dimethyl-1H-1,2,3-triazole-4-carboxylic acid?
The CAS number of dimethyl-1H-1,2,3-triazole-4-carboxylic acid is 329064-07-5.
What is the molecular formula of dimethyl-1H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of dimethyl-1H-1,2,3-triazole-4-carboxylic acid is C5H7N3O2.
What is the molecular weight of dimethyl-1H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of dimethyl-1H-1,2,3-triazole-4-carboxylic acid is 141.05 g/mol.
Where can I buy dimethyl-1H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for dimethyl-1H-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 dimethyl-1H-1,2,3-triazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for dimethyl-1H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.