![2-[(1H-1,2,4-triazol-1-yl)methyl]aniline structure](/static/products/127/127988-21-0.webp)
2-[(1H-1,2,4-triazol-1-yl)methyl]aniline
TL;DR: 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline (CAS 127988-21-0) is a chemical compound with molecular formula C9H10N4 and molecular weight 174.09055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,2,4-triazol-1-ylmethyl)aniline
Also Known As: 2-[(1,2,4-Triazol-1-yl)methyl]aniline, 2-(1,2,4-triazol-1-ylmethyl)aniline, 2-(1H-1,2,4-triazol-1-ylmethyl)aniline, 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline, 5163AJ
Technical Specifications
| Molecular Formula | C9H10N4 |
| Molecular Weight | 174.09055 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.09055 Da |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
| SMILES | C1=CC=C(C(=C1)CN2C=NC=N2)N |
| InChIKey | CBGQHZNXHUCAGE-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline
Property Insights of 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline. With a topological polar surface area (TPSA) of 56.7 Ų, 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1H-1,2,4-triazol-1-yl)methyl]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
What is the CAS number of 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline?
The CAS number of 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline is 127988-21-0.
What is the molecular formula of 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline?
The molecular formula of 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline is C9H10N4.
What is the molecular weight of 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline?
The molecular weight of 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline is 174.09055 g/mol.
Where can I buy 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline?
You can request a quote for 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline?
Yes, CoreyChem provides custom synthesis services for 2-[(1H-1,2,4-triazol-1-yl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.