3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione
TL;DR: 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione (CAS 39989-29-2) is a chemical compound with molecular formula C4H2N4O2 and molecular weight 138.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4H-imidazo[1,2-b][1,2,4]triazole-5,6-dione
Also Known As: 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione, 1H-imidazo[1,2-b][1,2,4]triazole-5,6-dione, 4-(benzylamino)-6-chloro-5-nitropyrimidine, 3H-Imidazo[1,2-b][1,2,4]triazole-5,6-dione, 4H-imidazo[1,2-b][1,2,4]triazole-5,6-dione
| Molecular Formula | C4H2N4O2 |
|---|---|
| Molecular Weight | 138.02 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.01778 |
| Heavy Atoms | 10 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 39989-29-2 |
|---|---|
| SMILES | C1=NN2C(=O)C(=O)NC2=N1 |
| InChIKey | YQVIWKFOGCKJAV-UHFFFAOYSA-N |
Product Overview
3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione (CAS 39989-29-2), with molecular formula C4H2N4O2 and molecular weight 138.02 g/mol. IUPAC: 4H-imidazo[1,2-b][1,2,4]triazole-5,6-dione.
Chemical Property Profile of 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione
Property Insights of 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione
The XLogP value of -0.4 indicates that 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione. Following Lipinski's Rule of Five, 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione has 1 hydrogen bond donor(s) and 4 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 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione?
The CAS number of 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione is 39989-29-2.
What is the molecular formula of 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione?
The molecular formula of 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione is C4H2N4O2.
What is the molecular weight of 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione?
The molecular weight of 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione is 138.02 g/mol.
Where can I buy 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione?
You can request a quote for 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3H-Imidazo(1,2-b)(1,2,4)triazole-5,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.