1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone

C24H30Cl2N6O — CID 57443097

About 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 57443097) has the molecular formula C24H30Cl2N6O and a molecular weight of 489.45 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
• PubChem CID: 57443097
• Molecular Formula: C24H30Cl2N6O
• Molecular Weight: 489.45 g/mol
• Exact Mass: 488.19
• IUPAC Name: 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
• SMILES: O=C(CN1CCN(c2ccc(-c3cccc(Cl)c3Cl)nn2)CC1)N1CCN(C2CCC2)CC1
• InChI: InChI=1S/C24H30Cl2N6O/c25-20-6-2-5-19(24(20)26)21-7-8-22(28-27-21)31-11-9-29(10-12-31)17-23(33)32-15-13-30(14-16-32)18-3-1-4-18/h2,5-8,18H,1,3-4,9-17H2
• InChIKey: XDHUUYGKHBVWIX-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 55.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.45
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone?

The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 57443097) is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone is O=C(CN1CCN(c2ccc(-c3cccc(Cl)c3Cl)nn2)CC1)N1CCN(C2CCC2)CC1.

What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone?

The InChIKey is XDHUUYGKHBVWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N6O/c25-20-6-2-5-19(24(20)26)21-7-8-22(28-27-21)31-11-9-29(10-12-31)17-23(33)32-15-13-30(14-16-32)18-3-1-4-18/h2,5-8,18H,1,3-4,9-17H2.

What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone?

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 489.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 57443097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).