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Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate
TL;DR: Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate (CAS 42399-49-5) is a chemical compound with molecular formula C6H9N5O3 and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(5-amino-1,2,4-triazole-1-carbonyl)carbamate
Also Known As: ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate, Ethyl (5-amino-1H-1,2,4-triazole-1-carbonyl)carbamate, ethyl N-(5-amino-1,2,4-triazole-1-carbonyl)carbamate, (5-amino-[1,2,4]triazole-1-carbonyl)-carbamic acid ethyl ester
| Molecular Formula | C6H9N5O3 |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.07054 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 42399-49-5 |
|---|---|
| SMILES | CCOC(=O)NC(=O)N1C(=NC=N1)N |
| InChIKey | ZGTKNBQLPDZBPJ-UHFFFAOYSA-N |
Product Overview
Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate (CAS 42399-49-5), with molecular formula C6H9N5O3 and molecular weight 199.07 g/mol. IUPAC: ethyl N-(5-amino-1,2,4-triazole-1-carbonyl)carbamate.
Chemical Property Profile of Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate
Property Insights of Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate. Following Lipinski's Rule of Five, Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate 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[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate?
The CAS number of Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate is 42399-49-5.
What is the molecular formula of Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate?
The molecular formula of Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate is C6H9N5O3.
What is the molecular weight of Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate?
The molecular weight of Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate is 199.07 g/mol.
Where can I buy Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate?
You can request a quote for Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate 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-1-yl)carbonyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl[(5-amino-1h-1,2,4-triazol-1-yl)carbonyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.