3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile
TL;DR: 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile (CAS 17285-16-4) is a chemical compound with molecular formula C7H7N3O2 and molecular weight 165.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,6-dioxo-1H-pyridazin-2-yl)propanenitrile
Also Known As: 3-(3-hydroxy-6-oxopyridazin-1(6H)-yl)propanenitrile, 3-(3,6-dioxo-1H-pyridazin-2-yl)propanenitrile, J1.412.841G, 3-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)propanenitrile, 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile
| Molecular Formula | C7H7N3O2 |
|---|---|
| Molecular Weight | 165.05 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.05383 |
| Heavy Atoms | 12 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 17285-16-4 |
|---|---|
| SMILES | C1=CC(=O)N(NC1=O)CCC#N |
| InChIKey | DFBSPCFOHXHVIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile (CAS 17285-16-4), with molecular formula C7H7N3O2 and molecular weight 165.05 g/mol. IUPAC: 3-(3,6-dioxo-1H-pyridazin-2-yl)propanenitrile.
Chemical Property Profile of 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile
Property Insights of 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile
The XLogP value of -1.1 indicates that 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile. Following Lipinski's Rule of Five, 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile has 1 hydrogen bond donor(s) and 3 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 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile?
The CAS number of 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile is 17285-16-4.
What is the molecular formula of 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile?
The molecular formula of 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile is C7H7N3O2.
What is the molecular weight of 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile?
The molecular weight of 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile is 165.05 g/mol.
Where can I buy 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile?
You can request a quote for 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.