3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde
TL;DR: 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde (CAS 42786-73-2) is a chemical compound with molecular formula C8H6N4O and molecular weight 174.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde
Also Known As: 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde, 1H-1,2,4-Triazole-3-carboxaldehyde, 5-(4-pyridinyl)-, 3-(Pyridin-4-yl)-1H-1,2,4-triazole-5-carbaldehyde, 5-(4-Pyridinyl)-1H-1,2,4-triazole-3-carbaldehyde, 5-(4-Pyridinyl)-4H-1,2,4-triazole-3-carbaldehyde
| Molecular Formula | C8H6N4O |
|---|---|
| Molecular Weight | 174.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.05415 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 42786-73-2 |
|---|---|
| SMILES | C1=CN=CC=C1C2=NNC(=N2)C=O |
| InChIKey | QRXIAHCGICSYLT-UHFFFAOYSA-N |
Product Overview
3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde (CAS 42786-73-2), with molecular formula C8H6N4O and molecular weight 174.05 g/mol. IUPAC: 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde.
Chemical Property Profile of 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde
Property Insights of 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde. Following Lipinski's Rule of Five, 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde 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 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde?
The CAS number of 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde is 42786-73-2.
What is the molecular formula of 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde?
The molecular formula of 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde is C8H6N4O.
What is the molecular weight of 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde?
The molecular weight of 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde is 174.05 g/mol.
Where can I buy 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde?
You can request a quote for 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.