![Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate structure](/static/products/7797/77976-45-5.webp)
Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate
TL;DR: Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate (CAS 77976-45-5) is a chemical compound with molecular formula C8H13N5O3 and molecular weight 227.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-amino-3-methyltriazol-4-yl)methylamino]-2-oxoacetate
Also Known As: 1H-1,3-Triazole, acetic acid deriv., 1H-1,2,3-Triazole, acetic acid deriv, 1H-1,2,3-Triazole, acetic acid deriv., ethyl (5-amino-3-methyl-triazol-4-yl)methylcarbamoylformate, ethyl 2-[(5-amino-3-methyltriazol-4-yl)methylamino]-2-oxoacetate
| Molecular Formula | C8H13N5O3 |
|---|---|
| Molecular Weight | 227.10 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.10184 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 77976-45-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)NCC1=C(N=NN1C)N |
| InChIKey | MGKGJBBTPSYTMM-UHFFFAOYSA-N |
Product Overview
Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate (CAS 77976-45-5), with molecular formula C8H13N5O3 and molecular weight 227.10 g/mol. IUPAC: ethyl 2-[(5-amino-3-methyltriazol-4-yl)methylamino]-2-oxoacetate.
Chemical Property Profile of Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate
Property Insights of Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate
The XLogP value of -0.3 indicates that Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate. Following Lipinski's Rule of Five, Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate has 2 hydrogen bond donor(s) and 6 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 {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate?
The CAS number of Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate is 77976-45-5.
What is the molecular formula of Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate?
The molecular formula of Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate is C8H13N5O3.
What is the molecular weight of Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate?
The molecular weight of Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate is 227.10 g/mol.
Where can I buy Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate?
You can request a quote for Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl {[(4-amino-1-methyl-1H-1,2,3-triazol-5-yl)methyl]amino}(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.