1,2,4-Triazolidine-3,5-diimine oxalate
TL;DR: 1,2,4-Triazolidine-3,5-diimine oxalate (CAS 6625-77-0) is a chemical compound with molecular formula C4H7N5O4 and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;1H-1,2,4-triazole-3,5-diamine
Also Known As: 1,2,4-Triazolidine-3,5-diimine oxalate, oxalic acid,1H-1,2,4-triazole-3,5-diamine, oxalic acid; 1,2,4-triazolidine-3,5-diimine, oxalic acid; 1H-1,2,4-triazole-3,5-diamine, Oxalic acid--1H-1,2,4-triazole-3,5-diamine (1/1)
| Molecular Formula | C4H7N5O4 |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | -1.8753 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.0498 |
| Heavy Atoms | 13 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 6625-77-0 |
|---|---|
| SMILES | C1(=NC(=NN1)N)N.C(=O)(C(=O)O)O |
| InChIKey | LPERBCAVOFGOFN-UHFFFAOYSA-N |
Product Overview
1,2,4-Triazolidine-3,5-diimine oxalate (CAS 6625-77-0), with molecular formula C4H7N5O4 and molecular weight 189.05 g/mol. IUPAC: oxalic acid;1H-1,2,4-triazole-3,5-diamine.
Chemical Property Profile of 1,2,4-Triazolidine-3,5-diimine oxalate
Property Insights of 1,2,4-Triazolidine-3,5-diimine oxalate
The XLogP value of -1.8753 indicates that 1,2,4-Triazolidine-3,5-diimine oxalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.0 Ų indicates high polarity, suggesting 1,2,4-Triazolidine-3,5-diimine oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,4-Triazolidine-3,5-diimine oxalate has 5 hydrogen bond donor(s) and 8 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-diimine oxalate?
The CAS number of 1,2,4-Triazolidine-3,5-diimine oxalate is 6625-77-0.
What is the molecular formula of 1,2,4-Triazolidine-3,5-diimine oxalate?
The molecular formula of 1,2,4-Triazolidine-3,5-diimine oxalate is C4H7N5O4.
What is the molecular weight of 1,2,4-Triazolidine-3,5-diimine oxalate?
The molecular weight of 1,2,4-Triazolidine-3,5-diimine oxalate is 189.05 g/mol.
Where can I buy 1,2,4-Triazolidine-3,5-diimine oxalate?
You can request a quote for 1,2,4-Triazolidine-3,5-diimine oxalate 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-diimine oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolidine-3,5-diimine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.