1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-)
TL;DR: 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-) (CAS 133476-08-1) is a chemical compound with molecular formula C4H6N3O2- and molecular weight 128.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethyl-5-oxo-1,2,4-triazol-3-olate
Also Known As: 1,2-dimethyl-5-oxo-1,2,4-triazol-3-olate, 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-), 1H-1,2,4-TRIAZOLO[4,3-C][1,3]DIAZEPINE, 1,2-Dimethyl-5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-olate
| Molecular Formula | C4H6N3O2- |
|---|---|
| Molecular Weight | 128.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.046 |
| Heavy Atoms | 9 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 133476-08-1 |
|---|---|
| SMILES | CN1C(=NC(=O)N1C)[O-] |
| InChIKey | YBYOSHLIDYZJAD-UHFFFAOYSA-M |
Product Overview
1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-) (CAS 133476-08-1), with molecular formula C4H6N3O2- and molecular weight 128.05 g/mol. IUPAC: 1,2-dimethyl-5-oxo-1,2,4-triazol-3-olate.
Chemical Property Profile of 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-)
Property Insights of 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-)
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-). With a topological polar surface area (TPSA) of 59.0 Ų, 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-) 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 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-)?
The CAS number of 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-) is 133476-08-1.
What is the molecular formula of 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-)?
The molecular formula of 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-) is C4H6N3O2-.
What is the molecular weight of 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-)?
The molecular weight of 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-) is 128.05 g/mol.
Where can I buy 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-)?
You can request a quote for 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-)?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolidine-3,5-dione, 1,2-dimethyl-, ion(1-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.