4-methyl-5-oxo-1H-1,2,4-triazol-3-olate
TL;DR: 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate (CAS 133476-06-9) is a chemical compound with molecular formula C3H4N3O2- and molecular weight 114.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-oxo-1H-1,2,4-triazol-3-olate
Also Known As: 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate, 5-Hydroxy-4-methyl-4H-1,2,4-triazol-3-olate
| Molecular Formula | C3H4N3O2- |
|---|---|
| Molecular Weight | 114.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.03035 |
| Heavy Atoms | 8 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 133476-06-9 |
|---|---|
| SMILES | CN1C(=O)NN=C1[O-] |
| InChIKey | XJOOWWMZMXBLAO-UHFFFAOYSA-M |
Product Overview
4-methyl-5-oxo-1H-1,2,4-triazol-3-olate (CAS 133476-06-9), with molecular formula C3H4N3O2- and molecular weight 114.03 g/mol. IUPAC: 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate.
Chemical Property Profile of 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate
Property Insights of 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate. Following Lipinski's Rule of Five, 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate has 1 hydrogen bond donor(s) and 3 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 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate?
The CAS number of 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate is 133476-06-9.
What is the molecular formula of 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate?
The molecular formula of 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate is C3H4N3O2-.
What is the molecular weight of 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate?
The molecular weight of 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate is 114.03 g/mol.
Where can I buy 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate?
You can request a quote for 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-5-oxo-1H-1,2,4-triazol-3-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.