5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile
TL;DR: 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile (CAS 329924-07-4) is a chemical compound with molecular formula C9H5N5O2 and molecular weight 215.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile
Also Known As: 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile, 1H-1,2,4-Triazole-5-carbonitrile, 3-(2-nitrophenyl)-
| Molecular Formula | C9H5N5O2 |
|---|---|
| Molecular Weight | 215.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.04433 |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 329924-07-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(=NN2)C#N)[N+](=O)[O-] |
| InChIKey | MFMCVAOEXAAWCM-UHFFFAOYSA-N |
Product Overview
5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile (CAS 329924-07-4), with molecular formula C9H5N5O2 and molecular weight 215.04 g/mol. IUPAC: 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile.
Chemical Property Profile of 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile
Property Insights of 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile. Following Lipinski's Rule of Five, 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile has 1 hydrogen bond donor(s) and 5 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 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile?
The CAS number of 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile is 329924-07-4.
What is the molecular formula of 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile?
The molecular formula of 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile is C9H5N5O2.
What is the molecular weight of 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile?
The molecular weight of 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile is 215.04 g/mol.
Where can I buy 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile?
You can request a quote for 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-nitrophenyl)-1H-1,2,4-triazole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.