5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one

C26H36F6N8O4Si — CID 174227860

About 5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one

5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one (PubChem CID 174227860) has the molecular formula C26H36F6N8O4Si and a molecular weight of 666.70 g/mol. Its IUPAC name is 5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one.

Molecular Properties

• Compound Name: 5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
• PubChem CID: 174227860
• Molecular Formula: C26H36F6N8O4Si
• Molecular Weight: 666.70 g/mol
• Exact Mass: 666.25
• IUPAC Name: 5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
• SMILES: C/C(=N\OCC(C)Nc1cnn(COCC[Si](C)(C)C)c(=O)c1C(F)(F)F)C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
• InChI: InChI=1S/C26H36F6N8O4Si/c1-17(36-20-14-35-40(16-43-10-11-45(3,4)5)23(42)21(20)26(30,31)32)15-44-37-18(2)22(41)38-6-8-39(9-7-38)24-33-12-19(13-34-24)25(27,28)29/h12-14,17,36H,6-11,15-16H2,1-5H3/b37-18+
• InChIKey: MFXWNLAOBXSMIP-RQRWGXNHSA-N
• XLogP: 3.92
• TPSA: 127.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.70
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?

The IUPAC name of 5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one (CID 174227860) is 5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one.

What is the SMILES notation for 5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?

The canonical SMILES for 5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one is C/C(=N\OCC(C)Nc1cnn(COCC[Si](C)(C)C)c(=O)c1C(F)(F)F)C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1.

What is the InChIKey of 5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?

The InChIKey is MFXWNLAOBXSMIP-RQRWGXNHSA-N. The full InChI is InChI=1S/C26H36F6N8O4Si/c1-17(36-20-14-35-40(16-43-10-11-45(3,4)5)23(42)21(20)26(30,31)32)15-44-37-18(2)22(41)38-6-8-39(9-7-38)24-33-12-19(13-34-24)25(27,28)29/h12-14,17,36H,6-11,15-16H2,1-5H3/b37-18+.

What are the key properties of 5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?

5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one has a molecular weight of 666.70 g/mol, XLogP of 3.92, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(E)-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ylidene]amino]oxypropan-2-ylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one is sourced from PubChem (CID 174227860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).