5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole
TL;DR: 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole (CAS 85322-82-3) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-oxido-2-phenyltriazol-1-ium
Also Known As: 5-methyl-1-oxido-2-phenyltriazol-1-ium, 5-Methyl-2-phenyl-2H-1,2,3-triazole 1-oxide, 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole, 5-methyl-2-phenyl-2H-1,2,3-triazol-1-ium-1-olate
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 85322-82-3 |
|---|---|
| SMILES | CC1=[N+](N(N=C1)C2=CC=CC=C2)[O-] |
| InChIKey | HWXALAPGLQBHOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole (CAS 85322-82-3), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: 5-methyl-1-oxido-2-phenyltriazol-1-ium.
Chemical Property Profile of 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole
Property Insights of 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole. With a topological polar surface area (TPSA) of 43.3 Ų, 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole has 0 hydrogen bond donor(s) and 2 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-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole?
The CAS number of 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole is 85322-82-3.
What is the molecular formula of 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole?
The molecular formula of 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole is C9H9N3O.
What is the molecular weight of 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole?
The molecular weight of 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole is 175.07 g/mol.
Where can I buy 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole?
You can request a quote for 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.