3-(4H-1,2,4-triazol-4-yl)aniline
TL;DR: 3-(4H-1,2,4-triazol-4-yl)aniline (CAS 2138341-25-8) 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.
3-(1,2,4-triazol-4-yl)aniline
Also Known As: 3-(4H-1,2,4-triazol-4-yl)aniline, 3-(1,2,4-triazol-4-yl)aniline, 3-[1,2,4]Triazol-4-yl-phenylamine, 3-(4H-1,2,4-Triazol-4-yl)benzenamine, 3-(1,3,4-triazol-1-yl)aniline
| Molecular Formula | C8H8N4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 0.8495 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.07489 |
| Heavy Atoms | 12 |
| Complexity | 366.3067 |
Chemical Identifiers
| CAS Number | 2138341-25-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C=NN=C2)N |
Product Overview
3-(4H-1,2,4-triazol-4-yl)aniline (CAS 2138341-25-8), with molecular formula C8H8N4 and molecular weight 160.07 g/mol. IUPAC: 3-(1,2,4-triazol-4-yl)aniline.
Chemical Property Profile of 3-(4H-1,2,4-triazol-4-yl)aniline
Property Insights of 3-(4H-1,2,4-triazol-4-yl)aniline
The XLogP value of 0.8495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4H-1,2,4-triazol-4-yl)aniline. With a topological polar surface area (TPSA) of 56.73 Ų, 3-(4H-1,2,4-triazol-4-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4H-1,2,4-triazol-4-yl)aniline 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-(4H-1,2,4-triazol-4-yl)aniline?
The CAS number of 3-(4H-1,2,4-triazol-4-yl)aniline is 2138341-25-8.
What is the molecular formula of 3-(4H-1,2,4-triazol-4-yl)aniline?
The molecular formula of 3-(4H-1,2,4-triazol-4-yl)aniline is C8H8N4.
What is the molecular weight of 3-(4H-1,2,4-triazol-4-yl)aniline?
The molecular weight of 3-(4H-1,2,4-triazol-4-yl)aniline is 160.07 g/mol.
Where can I buy 3-(4H-1,2,4-triazol-4-yl)aniline?
You can request a quote for 3-(4H-1,2,4-triazol-4-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4H-1,2,4-triazol-4-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(4H-1,2,4-triazol-4-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.