ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate
TL;DR: ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate (CAS 86152-46-7) is a chemical compound with molecular formula C6H10N4O2 and molecular weight 170.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-amino-1H-1,2,4-triazol-5-yl)acetate
Also Known As: Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate, ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate, ethyl 2-(3-amino-1H-1,2,4-triazol-5-yl)acetate, Ethyl (5-Amino-4H-1,2,4-triazol-3-yl)acetate, ethyl 2-(5-amino-1H-1,2,4-triazol-3-yl)acetate
| Molecular Formula | C6H10N4O2 |
|---|---|
| Molecular Weight | 170.08 g/mol |
| LogP | -0.5075 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.08037 |
| Heavy Atoms | 12 |
| Complexity | 270.26672 |
Chemical Identifiers
| CAS Number | 86152-46-7 |
|---|---|
| SMILES | CCOC(=O)CC1=NC(=NN1)N |
Product Overview
ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate (CAS 86152-46-7), with molecular formula C6H10N4O2 and molecular weight 170.08 g/mol. IUPAC: ethyl 2-(3-amino-1H-1,2,4-triazol-5-yl)acetate.
Chemical Property Profile of ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate
Property Insights of ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate
The XLogP value of -0.5075 indicates that ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate 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-1H-1,2,4-triazol-3-yl)acetate. Following Lipinski's Rule of Five, ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate 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-1H-1,2,4-triazol-3-yl)acetate?
The CAS number of ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate is 86152-46-7.
What is the molecular formula of ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate?
The molecular formula of ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate is C6H10N4O2.
What is the molecular weight of ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate?
The molecular weight of ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate is 170.08 g/mol.
Where can I buy ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate?
You can request a quote for ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate 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-1H-1,2,4-triazol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (5-amino-1H-1,2,4-triazol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.