2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline
TL;DR: 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline (CAS 38154-38-0) 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.
2-(1-methyl-1,2,4-triazol-3-yl)aniline
Also Known As: 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline, 2-(1-methyl-1,2,4-triazol-3-yl)aniline, 2-(1-Methyl-1H-1,2,4-triazol-3-yl)benzenamine, N/A
| Molecular Formula | C9H10N4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.09055 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 38154-38-0 |
|---|---|
| SMILES | CN1C=NC(=N1)C2=CC=CC=C2N |
| InChIKey | UQUYETSXMOOVEP-UHFFFAOYSA-N |
Product Overview
2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline (CAS 38154-38-0), with molecular formula C9H10N4 and molecular weight 174.09 g/mol. IUPAC: 2-(1-methyl-1,2,4-triazol-3-yl)aniline.
Chemical Property Profile of 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline
Property Insights of 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline. With a topological polar surface area (TPSA) of 56.7 Ų, 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Methyl-1H-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 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline?
The CAS number of 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline is 38154-38-0.
What is the molecular formula of 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline?
The molecular formula of 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline is C9H10N4.
What is the molecular weight of 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline?
The molecular weight of 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline is 174.09 g/mol.
Where can I buy 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline?
You can request a quote for 2-(1-Methyl-1H-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 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.