5-Hexyl-1H-1,2,4-triazole
TL;DR: 5-Hexyl-1H-1,2,4-triazole (CAS 67646-18-8) is a chemical compound with molecular formula C8H15N3 and molecular weight 153.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hexyl-1H-1,2,4-triazole
Also Known As: 5-Hexyl-1H-1,2,4-triazole, 1-(S-Triazin-3-yl)-hexane, 1H-1,2,4-Triazole,3-hexyl, 1H-1,2,4-Triazole, 3-hexyl-, 5-Hexyl-1H-1,2,4-triazole #
| Molecular Formula | C8H15N3 |
|---|---|
| Molecular Weight | 153.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 153.1266 |
| Heavy Atoms | 11 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 67646-18-8 |
|---|---|
| SMILES | CCCCCCC1=NC=NN1 |
| InChIKey | WRTYTWBAUOUGPF-UHFFFAOYSA-N |
Product Overview
5-Hexyl-1H-1,2,4-triazole (CAS 67646-18-8), with molecular formula C8H15N3 and molecular weight 153.13 g/mol. IUPAC: 5-hexyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-Hexyl-1H-1,2,4-triazole
Property Insights of 5-Hexyl-1H-1,2,4-triazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hexyl-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 41.6 Ų, 5-Hexyl-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hexyl-1H-1,2,4-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 5-Hexyl-1H-1,2,4-triazole?
The CAS number of 5-Hexyl-1H-1,2,4-triazole is 67646-18-8.
What is the molecular formula of 5-Hexyl-1H-1,2,4-triazole?
The molecular formula of 5-Hexyl-1H-1,2,4-triazole is C8H15N3.
What is the molecular weight of 5-Hexyl-1H-1,2,4-triazole?
The molecular weight of 5-Hexyl-1H-1,2,4-triazole is 153.13 g/mol.
Where can I buy 5-Hexyl-1H-1,2,4-triazole?
You can request a quote for 5-Hexyl-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hexyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Hexyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.