4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline
TL;DR: 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline (CAS 690632-18-9) is a chemical compound with molecular formula C9H10N4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methyl-1,2,4-triazol-3-yl)aniline
Also Known As: 4-(4-methyl-4H-1,2,4-triazol-3-yl)aniline, TimTec1_004161, 4-(4-methyl-1,2,4-triazol-3-yl)aniline, Benzenamine,4-(4-methyl-4H-1,2,4-triazol-3-yl)-, 4-(4-methyl-1,2,4-triazol-3-yl)phenylamine
| Molecular Formula | C9H10N4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.0643 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.09055 |
| Heavy Atoms | 13 |
| Complexity | 401.80798 |
Chemical Identifiers
| CAS Number | 690632-18-9 |
|---|---|
| SMILES | CN1C=NN=C1C2=CC=C(C=C2)N |
Product Overview
4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline (CAS 690632-18-9), with molecular formula C9H10N4 and molecular weight 174.09 g/mol. IUPAC: 4-(4-methyl-1,2,4-triazol-3-yl)aniline.
Chemical Property Profile of 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline
Property Insights of 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline
The XLogP value of 1.0643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline. With a topological polar surface area (TPSA) of 56.73 Ų, 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methyl-4H-1,2,4-Triazol-3-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 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline?
The CAS number of 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline is 690632-18-9.
What is the molecular formula of 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline?
The molecular formula of 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline is C9H10N4.
What is the molecular weight of 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline?
The molecular weight of 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline is 174.09 g/mol.
Where can I buy 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline?
You can request a quote for 4-(4-Methyl-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-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.