6-Oxo-1(6H)-pyridazinepropanenitrile
TL;DR: 6-Oxo-1(6H)-pyridazinepropanenitrile (CAS 73535-74-7) is a chemical compound with molecular formula C7H7N3O and molecular weight 149.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-oxopyridazin-1-yl)propanenitrile
Also Known As: 3-(6-Oxopyridazin-1(6h)-yl)propanenitrile, 3-(3-oxo-2-pyridazinyl)propionitrile, 6-Oxo-1(6H)-pyridazinepropanenitrile, 3-(6-oxopyridazin-1-yl)propanenitrile, 2-(2-Cyanoethyl)-2,3-dihydro-3-oxopyridazine
| Molecular Formula | C7H7N3O |
|---|---|
| Molecular Weight | 149.06 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.05891 |
| Heavy Atoms | 11 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 73535-74-7 |
|---|---|
| SMILES | C1=CC(=O)N(N=C1)CCC#N |
| InChIKey | KYPVCZXECRTCNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Oxo-1(6H)-pyridazinepropanenitrile (CAS 73535-74-7), with molecular formula C7H7N3O and molecular weight 149.06 g/mol. IUPAC: 3-(6-oxopyridazin-1-yl)propanenitrile.
Chemical Property Profile of 6-Oxo-1(6H)-pyridazinepropanenitrile
Property Insights of 6-Oxo-1(6H)-pyridazinepropanenitrile
The XLogP value of -0.8 indicates that 6-Oxo-1(6H)-pyridazinepropanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.5 Ų, 6-Oxo-1(6H)-pyridazinepropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Oxo-1(6H)-pyridazinepropanenitrile has 0 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 6-Oxo-1(6H)-pyridazinepropanenitrile?
The CAS number of 6-Oxo-1(6H)-pyridazinepropanenitrile is 73535-74-7.
What is the molecular formula of 6-Oxo-1(6H)-pyridazinepropanenitrile?
The molecular formula of 6-Oxo-1(6H)-pyridazinepropanenitrile is C7H7N3O.
What is the molecular weight of 6-Oxo-1(6H)-pyridazinepropanenitrile?
The molecular weight of 6-Oxo-1(6H)-pyridazinepropanenitrile is 149.06 g/mol.
Where can I buy 6-Oxo-1(6H)-pyridazinepropanenitrile?
You can request a quote for 6-Oxo-1(6H)-pyridazinepropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxo-1(6H)-pyridazinepropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxo-1(6H)-pyridazinepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.