(3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone
TL;DR: (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone (CAS 111544-24-2) is a chemical compound with molecular formula C9H7N5O3 and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-1,2,4-triazol-1-yl)-(3-nitrophenyl)methanone
Also Known As: (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone, 1-(3-nitrobenzoyl)-1H-1,2,4-triazol-3-amine, (3-amino-1,2,4-triazol-1-yl)-(3-nitrophenyl)methanone
| Molecular Formula | C9H7N5O3 |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 0.457 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.05489 |
| Heavy Atoms | 17 |
| Complexity | 591.8222 |
Chemical Identifiers
| CAS Number | 111544-24-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N2C=NC(=N2)N |
Product Overview
(3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone (CAS 111544-24-2), with molecular formula C9H7N5O3 and molecular weight 233.05 g/mol. IUPAC: (3-amino-1,2,4-triazol-1-yl)-(3-nitrophenyl)methanone.
Chemical Property Profile of (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone
Property Insights of (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone
The XLogP value of 0.457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone. Following Lipinski's Rule of Five, (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone 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
Frequently Asked Questions
What is the CAS number of (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
The CAS number of (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone is 111544-24-2.
What is the molecular formula of (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
The molecular formula of (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone is C9H7N5O3.
What is the molecular weight of (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
The molecular weight of (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone is 233.05 g/mol.
Where can I buy (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
You can request a quote for (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-amino-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.