![1-[(2-Nitrophenyl)methyl]-1,2,4-triazole structure](/static/products/127/127988-19-6.webp)
1-[(2-Nitrophenyl)methyl]-1,2,4-triazole
TL;DR: 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole (CAS 127988-19-6) is a chemical compound with molecular formula C9H8N4O2 and molecular weight 204.06473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-nitrophenyl)methyl]-1,2,4-triazole
Also Known As: 1-[(2-nitrophenyl)methyl]-1,2,4-triazole, (1H-1,2,4-triazol-1-ylmethyl)-2-nitrobenzene, 1H-1,2,4-Triazole, 1-[(2-nitrophenyl)methyl]-
Technical Specifications
| Molecular Formula | C9H8N4O2 |
| Molecular Weight | 204.06473 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.06473 Da |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
| SMILES | C1=CC=C(C(=C1)CN2C=NC=N2)[N+](=O)[O-] |
| InChIKey | CNGHPKPXEGZELE-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole
Property Insights of 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole. Following Lipinski's Rule of Five, 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole?
The CAS number of 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole is 127988-19-6.
What is the molecular formula of 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole?
The molecular formula of 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole is C9H8N4O2.
What is the molecular weight of 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole?
The molecular weight of 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole is 204.06473 g/mol.
Where can I buy 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole?
You can request a quote for 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 1-[(2-Nitrophenyl)methyl]-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.