1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester
TL;DR: 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester (CAS 63666-11-5) is a chemical compound with molecular formula C5H8N4O2 and molecular weight 156.06473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-amino-1H-1,2,4-triazole-5-carboxylate
Also Known As: Ethyl 5-amino-4H-[1,2,4]triazole-3-carboxylate, ethyl 5-amino-4h-1,2,4-triazole-3-carboxylate, ethyl 5-amino-1H-1,2,4-triazole-3-carboxylate, ethyl 3-amino-1H-1,2,4-triazole-5-carboxylate, 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8N4O2 |
| Molecular Weight | 156.06473 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 93.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.06473 Da |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
| SMILES | CCOC(=O)C1=NC(=NN1)N |
| InChIKey | MLVNUTAJXZZPCJ-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester
Property Insights of 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester 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
What is the CAS number of 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester?
The CAS number of 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester is 63666-11-5.
What is the molecular formula of 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester?
The molecular formula of 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester is C5H8N4O2.
What is the molecular weight of 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester?
The molecular weight of 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester is 156.06473 g/mol.
Where can I buy 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester?
You can request a quote for 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.