N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide
TL;DR: N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide (CAS 380640-64-2) is a chemical compound with molecular formula C12H9N5O and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2,4-triazol-4-yl)quinoline-2-carboxamide
Also Known As: N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide, N-(1,2,4-triazol-4-yl)quinoline-2-carboxamide, AE-848/08416018
| Molecular Formula | C12H9N5O |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 1.2102 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.0807 |
| Heavy Atoms | 18 |
| Complexity | 692.519 |
Chemical Identifiers
| CAS Number | 380640-64-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)C(=O)NN3C=NN=C3 |
Product Overview
N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide (CAS 380640-64-2), with molecular formula C12H9N5O and molecular weight 239.08 g/mol. IUPAC: N-(1,2,4-triazol-4-yl)quinoline-2-carboxamide.
Chemical Property Profile of N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide
Property Insights of N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide
The XLogP value of 1.2102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide. Following Lipinski's Rule of Five, N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide 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 N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide?
The CAS number of N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide is 380640-64-2.
What is the molecular formula of N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide?
The molecular formula of N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide is C12H9N5O.
What is the molecular weight of N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide?
The molecular weight of N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide is 239.08 g/mol.
Where can I buy N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide?
You can request a quote for N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4H-1,2,4-triazol-4-yl)-2-quinolinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.