1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine
TL;DR: 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine (CAS 111544-25-3) is a chemical compound with molecular formula C9H7N5O3 and molecular weight 233.05489 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-amino-1,2,4-triazol-1-yl)-(2-nitrophenyl)methanone
Also Known As: 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine, (3-amino-1,2,4-triazol-1-yl)-(2-nitrophenyl)methanone, 3-Amino(1,2,4-triazolyl) 2-nitrophenyl ketone, 1-(2-nitrobenzoyl)-1,2,4-triazol-3-amine, (3-amino-1H-1,2,4-triazol-1-yl)(2-nitrophenyl)methanone
Technical Specifications
| Molecular Formula | C9H7N5O3 |
| Molecular Weight | 233.05489 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.05489 Da |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)N2C=NC(=N2)N)[N+](=O)[O-] |
| InChIKey | LWEBVUNWOXSMMG-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine
Property Insights of 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine has 1 hydrogen bond donor(s) and 6 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-nitrobenzoyl)-1H-1,2,4-triazol-3-amine?
The CAS number of 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine is 111544-25-3.
What is the molecular formula of 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine?
The molecular formula of 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine is C9H7N5O3.
What is the molecular weight of 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine?
The molecular weight of 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine is 233.05489 g/mol.
Where can I buy 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine?
You can request a quote for 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine?
Yes, CoreyChem provides custom synthesis services for 1-(2-nitrobenzoyl)-1H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.