2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline
TL;DR: 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline (CAS 300680-58-4) is a chemical compound with molecular formula C11H14N4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-N-(1,2,4-triazol-1-ylmethyl)aniline
Also Known As: 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline, 2,5-dimethyl-N-(1,2,4-triazol-1-ylmethyl)aniline
| Molecular Formula | C11H14N4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 1.96454 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.12184 |
| Heavy Atoms | 15 |
| Complexity | 433.85352 |
Chemical Identifiers
| CAS Number | 300680-58-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NCN2C=NC=N2 |
Product Overview
2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline (CAS 300680-58-4), with molecular formula C11H14N4 and molecular weight 202.12 g/mol. IUPAC: 2,5-dimethyl-N-(1,2,4-triazol-1-ylmethyl)aniline.
Chemical Property Profile of 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline
Property Insights of 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline
The XLogP value of 1.96454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline. With a topological polar surface area (TPSA) of 42.74 Ų, 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)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 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline?
The CAS number of 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline is 300680-58-4.
What is the molecular formula of 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline?
The molecular formula of 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline is C11H14N4.
What is the molecular weight of 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline?
The molecular weight of 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline is 202.12 g/mol.
Where can I buy 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline?
You can request a quote for 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-N-(1H-1,2,4-triazol-1-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.