N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline
TL;DR: N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline (CAS 158979-44-3) is a chemical compound with molecular formula C12H16N4 and molecular weight 216.1375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline
Also Known As: starbld0028163, N,N,3-Trimethyl-4-(1H-1,2,4-triazol-1-ylmethyl)aniline, N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline, 4-((1H-1,2,4-Triazol-1-yl)methyl)-N,N,3-trimethylaniline, N,N,3-trimethyl-4-[(1H-1,2,4-triazol-1-yl)methyl]aniline
Technical Specifications
| Molecular Formula | C12H16N4 |
| Molecular Weight | 216.1375 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 34.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.1375 Da |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
| SMILES | CC1=C(C=CC(=C1)N(C)C)CN2C=NC=N2 |
| InChIKey | JFAPLMJCAUYPHT-UHFFFAOYSA-N |
Chemical Property Profile of N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline
Property Insights of N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline. With a topological polar surface area (TPSA) of 34.0 Ų, N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline?
The CAS number of N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline is 158979-44-3.
What is the molecular formula of N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline?
The molecular formula of N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline is C12H16N4.
What is the molecular weight of N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline?
The molecular weight of N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline is 216.1375 g/mol.
Where can I buy N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline?
You can request a quote for N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline?
Yes, CoreyChem provides custom synthesis services for N,N,3-trimethyl-4-(1,2,4-triazol-1-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.