3-(1H-1,2,3-triazol-4-yl)-isoquinoline
TL;DR: 3-(1H-1,2,3-triazol-4-yl)-isoquinoline (CAS 512197-72-7) is a chemical compound with molecular formula C11H8N4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2H-triazol-4-yl)isoquinoline
Also Known As: 3-(2H-triazol-4-yl)isoquinoline, 3-(1H-1,2,3-triazol4-yl)-isoquinoline, Isoquinoline, 3-(1H-1,2,3-triazol-5-yl)-, 3-(1H-1,2,3-triazol-4-yl)-isoquinoline
| Molecular Formula | C11H8N4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.0199 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.07489 |
| Heavy Atoms | 15 |
| Complexity | 586.355 |
Chemical Identifiers
| CAS Number | 512197-72-7 |
|---|---|
| SMILES | C1=CC=C2C=NC(=CC2=C1)C3=NNN=C3 |
Product Overview
3-(1H-1,2,3-triazol-4-yl)-isoquinoline (CAS 512197-72-7), with molecular formula C11H8N4 and molecular weight 196.07 g/mol. IUPAC: 3-(2H-triazol-4-yl)isoquinoline.
Chemical Property Profile of 3-(1H-1,2,3-triazol-4-yl)-isoquinoline
Property Insights of 3-(1H-1,2,3-triazol-4-yl)-isoquinoline
The XLogP value of 2.0199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-1,2,3-triazol-4-yl)-isoquinoline. With a topological polar surface area (TPSA) of 54.46 Ų, 3-(1H-1,2,3-triazol-4-yl)-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-1,2,3-triazol-4-yl)-isoquinoline has 1 hydrogen bond donor(s) and 3 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-(1H-1,2,3-triazol-4-yl)-isoquinoline?
The CAS number of 3-(1H-1,2,3-triazol-4-yl)-isoquinoline is 512197-72-7.
What is the molecular formula of 3-(1H-1,2,3-triazol-4-yl)-isoquinoline?
The molecular formula of 3-(1H-1,2,3-triazol-4-yl)-isoquinoline is C11H8N4.
What is the molecular weight of 3-(1H-1,2,3-triazol-4-yl)-isoquinoline?
The molecular weight of 3-(1H-1,2,3-triazol-4-yl)-isoquinoline is 196.07 g/mol.
Where can I buy 3-(1H-1,2,3-triazol-4-yl)-isoquinoline?
You can request a quote for 3-(1H-1,2,3-triazol-4-yl)-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-1,2,3-triazol-4-yl)-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-1,2,3-triazol-4-yl)-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.