methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate
TL;DR: methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate (CAS 199291-94-6) is a chemical compound with molecular formula C6H8N4O3 and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate
Also Known As: BAS 00112511, methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate, methyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate, J1.990.756B, 5-Acetylamino-1H-[1,2,4]triazole-3-carboxylic acid methyl ester
| Molecular Formula | C6H8N4O3 |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.05965 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 199291-94-6 |
|---|---|
| SMILES | CC(=O)NC1=NNC(=N1)C(=O)OC |
| InChIKey | BQKSBCYRDTWIPR-UHFFFAOYSA-N |
Product Overview
methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate (CAS 199291-94-6), with molecular formula C6H8N4O3 and molecular weight 184.06 g/mol. IUPAC: methyl 3-acetamido-1H-1,2,4-triazole-5-carboxylate.
Chemical Property Profile of methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate
Property Insights of methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate
The XLogP value of -0.3 indicates that methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate has 2 hydrogen bond donor(s) and 5 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 methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate?
The CAS number of methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate is 199291-94-6.
What is the molecular formula of methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate?
The molecular formula of methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate is C6H8N4O3.
What is the molecular weight of methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate?
The molecular weight of methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate is 184.06 g/mol.
Where can I buy methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate?
You can request a quote for methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-acetamido-1H-1,2,4-triazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.