Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)-
TL;DR: Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)- (CAS 137522-77-1) is a chemical compound with molecular formula C6H3N5O2 and molecular weight 177.02867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4,6-dioxo-1,3,5-triazinan-2-ylidene)propanedinitrile
Also Known As: Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)-, 1,2,3,4,5,6-Hexahydro-2,4-dioxo-6-dicyanomethyl-s-triazine, 2-(4,6-dioxo-1,3,5-triazinan-2-ylidene)propanedinitrile, (4,6-Dioxo-1,3,5-triazinan-2-ylidene)propanedinitrile, 6-Dicyanomethylene-5,6-dihydro-1,3,5-triazine-2,4(1H,3H)-dione
Technical Specifications
| Molecular Formula | C6H3N5O2 |
| Molecular Weight | 177.02867 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.02867 Da |
| Heavy Atoms | 13 |
| Complexity | 367.0 |
| SMILES | C(#N)C(=C1NC(=O)NC(=O)N1)C#N |
| InChIKey | FRBLSBQVVBMGHD-UHFFFAOYSA-N |
Chemical Property Profile of Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)-
Property Insights of Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)-
The XLogP value of -1.4 indicates that Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)-. Following Lipinski's Rule of Five, Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)-?
The CAS number of Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)- is 137522-77-1.
What is the molecular formula of Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)-?
The molecular formula of Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)- is C6H3N5O2.
What is the molecular weight of Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)-?
The molecular weight of Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)- is 177.02867 g/mol.
Where can I buy Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)-?
You can request a quote for Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)-?
Yes, CoreyChem provides custom synthesis services for Propanedinitrile, (tetrahydro-4,6-dioxo-1,3,5-triazin-2(1H)-ylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.