4-(3-Oxodiazinan-1-yl)benzonitrile
TL;DR: 4-(3-Oxodiazinan-1-yl)benzonitrile (CAS 122610-92-8) is a chemical compound with molecular formula C11H11N3O and molecular weight 201.09021 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-oxodiazinan-1-yl)benzonitrile
Also Known As: 4-(3-oxodiazinan-1-yl)benzonitrile, 4-(3-oxotetrahydropyridazin-1(2H)-yl)benzonitrile
Technical Specifications
| Molecular Formula | C11H11N3O |
| Molecular Weight | 201.09021 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.09021 Da |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
| SMILES | C1CC(=O)NN(C1)C2=CC=C(C=C2)C#N |
| InChIKey | MNOAUWXXGLSBRK-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Oxodiazinan-1-yl)benzonitrile
Property Insights of 4-(3-Oxodiazinan-1-yl)benzonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Oxodiazinan-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 56.1 Ų, 4-(3-Oxodiazinan-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Oxodiazinan-1-yl)benzonitrile 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
What is the CAS number of 4-(3-Oxodiazinan-1-yl)benzonitrile?
The CAS number of 4-(3-Oxodiazinan-1-yl)benzonitrile is 122610-92-8.
What is the molecular formula of 4-(3-Oxodiazinan-1-yl)benzonitrile?
The molecular formula of 4-(3-Oxodiazinan-1-yl)benzonitrile is C11H11N3O.
What is the molecular weight of 4-(3-Oxodiazinan-1-yl)benzonitrile?
The molecular weight of 4-(3-Oxodiazinan-1-yl)benzonitrile is 201.09021 g/mol.
Where can I buy 4-(3-Oxodiazinan-1-yl)benzonitrile?
You can request a quote for 4-(3-Oxodiazinan-1-yl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Oxodiazinan-1-yl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(3-Oxodiazinan-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.