1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile
TL;DR: 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile (CAS 736144-57-3) is a chemical compound with molecular formula C6H2N4O2 and molecular weight 162.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dioxo-1,4-dihydropyrazine-2,3-dicarbonitrile
Also Known As: 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile, 5,6-Dioxo-1,4,5,6-tetrahydropyrazine-2,3-dicarbonitrile, THD-PCN, 2,3-Dicyano-5,6-pyrazinediol, 5,6-dioxo-1,4-dihydropyrazine-2,3-dicarbonitrile
| Molecular Formula | C6H2N4O2 |
|---|---|
| Molecular Weight | 162.02 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.01778 |
| Heavy Atoms | 12 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 736144-57-3 |
|---|---|
| SMILES | C(#N)C1=C(NC(=O)C(=O)N1)C#N |
| InChIKey | OTVDGBINMCDFTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile (CAS 736144-57-3), with molecular formula C6H2N4O2 and molecular weight 162.02 g/mol. IUPAC: 5,6-dioxo-1,4-dihydropyrazine-2,3-dicarbonitrile.
Chemical Property Profile of 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile
Property Insights of 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile
The XLogP value of -1.1 indicates that 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile. Following Lipinski's Rule of Five, 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile has 2 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 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile?
The CAS number of 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile is 736144-57-3.
What is the molecular formula of 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile?
The molecular formula of 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile is C6H2N4O2.
What is the molecular weight of 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile?
The molecular weight of 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile is 162.02 g/mol.
Where can I buy 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile?
You can request a quote for 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.