4-(4H-1,2,4-triazol-3-yl)aniline
TL;DR: 4-(4H-1,2,4-triazol-3-yl)aniline (CAS 4922-51-4) is a chemical compound with molecular formula C8H8N4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-1,2,4-triazol-5-yl)aniline
Also Known As: 4-(4H-1,2,4-triazol-3-yl)aniline, 4-(1H-1,2,4-triazol-3-yl)aniline, 4-(1H-1,2,4-triazol-5-yl)aniline, 4-(1,2,4-triazolyl)aniline, 4-(4H-124-Triazol-3-yl)aniline
| Molecular Formula | C8H8N4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 1.0539 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.07489 |
| Heavy Atoms | 12 |
| Complexity | 349.0567 |
Chemical Identifiers
| CAS Number | 4922-51-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC=NN2)N |
Product Overview
4-(4H-1,2,4-triazol-3-yl)aniline (CAS 4922-51-4), with molecular formula C8H8N4 and molecular weight 160.07 g/mol. IUPAC: 4-(1H-1,2,4-triazol-5-yl)aniline.
Chemical Property Profile of 4-(4H-1,2,4-triazol-3-yl)aniline
Property Insights of 4-(4H-1,2,4-triazol-3-yl)aniline
The XLogP value of 1.0539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4H-1,2,4-triazol-3-yl)aniline. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4H-1,2,4-triazol-3-yl)aniline. Following Lipinski's Rule of Five, 4-(4H-1,2,4-triazol-3-yl)aniline has 2 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 4-(4H-1,2,4-triazol-3-yl)aniline?
The CAS number of 4-(4H-1,2,4-triazol-3-yl)aniline is 4922-51-4.
What is the molecular formula of 4-(4H-1,2,4-triazol-3-yl)aniline?
The molecular formula of 4-(4H-1,2,4-triazol-3-yl)aniline is C8H8N4.
What is the molecular weight of 4-(4H-1,2,4-triazol-3-yl)aniline?
The molecular weight of 4-(4H-1,2,4-triazol-3-yl)aniline is 160.07 g/mol.
Where can I buy 4-(4H-1,2,4-triazol-3-yl)aniline?
You can request a quote for 4-(4H-1,2,4-triazol-3-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4H-1,2,4-triazol-3-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(4H-1,2,4-triazol-3-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.