ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate
TL;DR: ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate (CAS 125835-20-3) 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 N-(3-methyl-1,2,4-triazol-4-yl)carbamate
Also Known As: ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate, NCI60_029109, Ethyl (3-methyl-4H-1,2,4-triazol-4-yl)carbamate, Ethyl 3-methyl-4H-1,2,4-triazol-4-ylcarbamate, N-(3-methyl-4H-1,2,4-triazol-4-yl)ethoxyformamide
| Molecular Formula | C6H10N4O2 |
|---|---|
| Molecular Weight | 170.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.08037 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 125835-20-3 |
|---|---|
| SMILES | CCOC(=O)NN1C=NN=C1C |
| InChIKey | BIFCWZRVTIIPAU-UHFFFAOYSA-N |
Product Overview
ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate (CAS 125835-20-3), with molecular formula C6H10N4O2 and molecular weight 170.08 g/mol. IUPAC: ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate.
Chemical Property Profile of ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate
Property Insights of ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate. Following Lipinski's Rule of Five, ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate has 1 hydrogen bond donor(s) and 4 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 N-(3-methyl-1,2,4-triazol-4-yl)carbamate?
The CAS number of ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate is 125835-20-3.
What is the molecular formula of ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate?
The molecular formula of ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate is C6H10N4O2.
What is the molecular weight of ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate?
The molecular weight of ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate is 170.08 g/mol.
Where can I buy ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate?
You can request a quote for ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.