ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
TL;DR: ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate (CAS 123419-05-6) is a chemical compound with molecular formula C11H11N5O4 and molecular weight 277.08112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-amino-1-(3-nitrophenyl)triazole-4-carboxylate
Also Known As: ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 5-amino-1-(3-nitrophenyl)triazole-4-carboxylate, J1.289.238A, 5-Amino-1-(3-nitro-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester, ethyl 5-amino-1-(3-nitrophenyl)-1,2,3-triazole-4-carboxylate
Technical Specifications
| Molecular Formula | C11H11N5O4 |
| Molecular Weight | 277.08112 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.08112 Da |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=CC(=CC=C2)[N+](=O)[O-])N |
| InChIKey | SHRPPOXTNGKGNF-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
Property Insights of ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate?
The CAS number of ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate is 123419-05-6.
What is the molecular formula of ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate is C11H11N5O4.
What is the molecular weight of ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate is 277.08112 g/mol.
Where can I buy ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 5-amino-1-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.