2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

C21H34N6O — CID 121053550

IUPAC2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCN1CCN(c2ccc(N3CCN(C(=O)CC4CCCCC4)CC3)nn2)CC1
InChIInChI=1S/C21H34N6O/c1-24-9-11-25(12-10-24)19-7-8-20(23-22-19)26-13-15-27(16-14-26)21(28)17-18-5-3-2-4-6-18/h7-8,18H,2-6,9-17H2,1H3
InChIKeyVSLWKLMQORNUSQ-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.85
Rot. Bonds4

About 2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 121053550) has the molecular formula C21H34N6O and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID121053550
Molecular FormulaC21H34N6O
Molecular Weight386.54 g/mol
Exact Mass386.28
IUPAC Name2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCN1CCN(c2ccc(N3CCN(C(=O)CC4CCCCC4)CC3)nn2)CC1
InChIInChI=1S/C21H34N6O/c1-24-9-11-25(12-10-24)19-7-8-20(23-22-19)26-13-15-27(16-14-26)21(28)17-18-5-3-2-4-6-18/h7-8,18H,2-6,9-17H2,1H3
InChIKeyVSLWKLMQORNUSQ-UHFFFAOYSA-N
XLogP1.85
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053451
2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 71811000
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053948
2-cyclohexyl-1-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 133469560
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 51106955
3-cyclopentyl-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122334043
2-cyclopentyl-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122343767
1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122336438
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
2-cyclopentyl-1-[(4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)azepan-1-yl]ethanone
CID 110128388

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 121053550) is 2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is CN1CCN(c2ccc(N3CCN(C(=O)CC4CCCCC4)CC3)nn2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is VSLWKLMQORNUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O/c1-24-9-11-25(12-10-24)19-7-8-20(23-22-19)26-13-15-27(16-14-26)21(28)17-18-5-3-2-4-6-18/h7-8,18H,2-6,9-17H2,1H3.
What are the key properties of 2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 386.54 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 121053550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).