2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid
TL;DR: 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid (CAS 720706-28-5) 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.
2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid
Also Known As: 2-(5-methyl-4H-1,2,4-triazol-3-yl)acetic acid, (5-METHYL-2H-[1,2,4]TRIAZOL-3-YL)-ACETIC ACID, -ACETICACID, 4-Methylenecyclohexylmethanol, 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid
| Molecular Formula | C5H7N3O2 |
|---|---|
| Molecular Weight | 141.05 g/mol |
| LogP | -0.25978 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.05383 |
| Heavy Atoms | 10 |
| Complexity | 242.79604 |
Chemical Identifiers
| CAS Number | 720706-28-5 |
|---|---|
| SMILES | CC1=NC(=NN1)CC(=O)O |
Product Overview
2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid (CAS 720706-28-5), with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol. IUPAC: 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid.
Chemical Property Profile of 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid
Property Insights of 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid
The XLogP value of -0.25978 indicates that 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic 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 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid. Following Lipinski's Rule of Five, 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic 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 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid?
The CAS number of 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid is 720706-28-5.
What is the molecular formula of 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid?
The molecular formula of 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid is C5H7N3O2.
What is the molecular weight of 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid?
The molecular weight of 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid is 141.05 g/mol.
Where can I buy 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid?
You can request a quote for 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methyl-1H-1,2,4-triazol-5-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.