3-Ethyl-1,2,4(1H)-triazole
TL;DR: 3-Ethyl-1,2,4(1H)-triazole (CAS 7411-16-7) is a chemical compound with molecular formula C4H7N3 and molecular weight 97.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1H-1,2,4-triazole
Also Known As: 3-Ethyl-1H-1,2,4-triazole, 5-ethyl-1H-1,2,4-triazole, 3-ethyl-4H-1,2,4-triazole, s-Triazole, 3-ethyl-, 1H-1,2,4-Triazole, 3-ethyl-
| Molecular Formula | C4H7N3 |
|---|---|
| Molecular Weight | 97.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 97.063995 |
| Heavy Atoms | 7 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 7411-16-7 |
|---|---|
| SMILES | CCC1=NC=NN1 |
| InChIKey | JDIPHBYZUMQFQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-1,2,4(1H)-triazole (CAS 7411-16-7), with molecular formula C4H7N3 and molecular weight 97.06 g/mol. IUPAC: 5-ethyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-Ethyl-1,2,4(1H)-triazole
Property Insights of 3-Ethyl-1,2,4(1H)-triazole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-1,2,4(1H)-triazole. With a topological polar surface area (TPSA) of 41.6 Ų, 3-Ethyl-1,2,4(1H)-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-1,2,4(1H)-triazole has 1 hydrogen bond donor(s) and 2 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 3-Ethyl-1,2,4(1H)-triazole?
The CAS number of 3-Ethyl-1,2,4(1H)-triazole is 7411-16-7.
What is the molecular formula of 3-Ethyl-1,2,4(1H)-triazole?
The molecular formula of 3-Ethyl-1,2,4(1H)-triazole is C4H7N3.
What is the molecular weight of 3-Ethyl-1,2,4(1H)-triazole?
The molecular weight of 3-Ethyl-1,2,4(1H)-triazole is 97.06 g/mol.
Where can I buy 3-Ethyl-1,2,4(1H)-triazole?
You can request a quote for 3-Ethyl-1,2,4(1H)-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-1,2,4(1H)-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-1,2,4(1H)-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.