2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone

C22H33N5O — CID 122334104

IUPAC2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCN(C)c1ccc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)nn1
InChIInChI=1S/C22H33N5O/c1-25(2)19-3-4-20(24-23-19)26-5-7-27(8-6-26)21(28)15-22-12-16-9-17(13-22)11-18(10-16)14-22/h3-4,16-18H,5-15H2,1-2H3
InChIKeyBZROONFPUZXGPS-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.80
Rot. Bonds4

About 2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone

2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 122334104) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID122334104
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCN(C)c1ccc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)nn1
InChIInChI=1S/C22H33N5O/c1-25(2)19-3-4-20(24-23-19)26-5-7-27(8-6-26)21(28)15-22-12-16-9-17(13-22)11-18(10-16)14-22/h3-4,16-18H,5-15H2,1-2H3
InChIKeyBZROONFPUZXGPS-UHFFFAOYSA-N
XLogP2.80
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 108753633
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121053699
2-(1-adamantyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347159
3-cyclopentyl-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122334043
2-(1-adamantyl)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 108755299
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121053737
2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 122334072
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122334054
2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121054075
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 122334067
1-[4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122334176
2-(1-adamantyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372321

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 122334104) is 2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone is CN(C)c1ccc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)nn1.
What is the InChIKey of 2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is BZROONFPUZXGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-25(2)19-3-4-20(24-23-19)26-5-7-27(8-6-26)21(28)15-22-12-16-9-17(13-22)11-18(10-16)14-22/h3-4,16-18H,5-15H2,1-2H3.
What are the key properties of 2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 383.54 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 122334104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).