1-Butyl-1,2,4-triazole
TL;DR: 1-Butyl-1,2,4-triazole (CAS 6086-22-2) is a chemical compound with molecular formula C6H11N3 and molecular weight 125.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-1,2,4-triazole
Also Known As: 1-Butyl-1H-1,2,4-triazole, 1-Butyl-s-triazole, 1-Butyl-1,2,4-triazole, 1-n-Butyl-1,2,4-triazole, 1H-1,2,4-Triazole, 1-butyl-
| Molecular Formula | C6H11N3 |
|---|---|
| Molecular Weight | 125.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 125.0953 |
| Heavy Atoms | 9 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 6086-22-2 |
|---|---|
| SMILES | CCCCN1C=NC=N1 |
| InChIKey | NSGZEKTXHYHICN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butyl-1,2,4-triazole (CAS 6086-22-2), with molecular formula C6H11N3 and molecular weight 125.10 g/mol. IUPAC: 1-butyl-1,2,4-triazole.
Chemical Property Profile of 1-Butyl-1,2,4-triazole
Property Insights of 1-Butyl-1,2,4-triazole
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-1,2,4-triazole. With a topological polar surface area (TPSA) of 30.7 Ų, 1-Butyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-1,2,4-triazole has 0 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 1-Butyl-1,2,4-triazole?
The CAS number of 1-Butyl-1,2,4-triazole is 6086-22-2.
What is the molecular formula of 1-Butyl-1,2,4-triazole?
The molecular formula of 1-Butyl-1,2,4-triazole is C6H11N3.
What is the molecular weight of 1-Butyl-1,2,4-triazole?
The molecular weight of 1-Butyl-1,2,4-triazole is 125.10 g/mol.
Where can I buy 1-Butyl-1,2,4-triazole?
You can request a quote for 1-Butyl-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 1-Butyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.