Ethyl 5-amino-2H-triazole-4-carboxylate
TL;DR: Ethyl 5-amino-2H-triazole-4-carboxylate (CAS 61336-12-7) is a chemical compound with molecular formula C5H8N4O2 and molecular weight 156.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-2H-triazole-4-carboxylate
Also Known As: Ethyl 5-amino-2H-triazole-4-carboxylate, ethyl 5-amino-1H-1,2,3-triazole-4-carboxylate, Ethyl 5-amino-2H-1,2,3-triazole-4-carboxylate, Ethyl 5-Amino-1,2,3-triazole-4-carboxylate, Ethyl5-amino-2H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C5H8N4O2 |
|---|---|
| Molecular Weight | 156.06 g/mol |
| LogP | -0.4364 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.06473 |
| Heavy Atoms | 11 |
| Complexity | 256.74002 |
Chemical Identifiers
| CAS Number | 61336-12-7 |
|---|---|
| SMILES | CCOC(=O)C1=NNN=C1N |
Product Overview
Ethyl 5-amino-2H-triazole-4-carboxylate (CAS 61336-12-7), with molecular formula C5H8N4O2 and molecular weight 156.06 g/mol. IUPAC: ethyl 5-amino-2H-triazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-amino-2H-triazole-4-carboxylate
Property Insights of Ethyl 5-amino-2H-triazole-4-carboxylate
The XLogP value of -0.4364 indicates that Ethyl 5-amino-2H-triazole-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-2H-triazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-2H-triazole-4-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 Ethyl 5-amino-2H-triazole-4-carboxylate?
The CAS number of Ethyl 5-amino-2H-triazole-4-carboxylate is 61336-12-7.
What is the molecular formula of Ethyl 5-amino-2H-triazole-4-carboxylate?
The molecular formula of Ethyl 5-amino-2H-triazole-4-carboxylate is C5H8N4O2.
What is the molecular weight of Ethyl 5-amino-2H-triazole-4-carboxylate?
The molecular weight of Ethyl 5-amino-2H-triazole-4-carboxylate is 156.06 g/mol.
Where can I buy Ethyl 5-amino-2H-triazole-4-carboxylate?
You can request a quote for Ethyl 5-amino-2H-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-2H-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-2H-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.