1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone

C18H22ClN5O — CID 155161520

IUPAC1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C18H22ClN5O/c1-22(2)15-5-3-14(4-6-15)13-18(25)24-11-9-23(10-12-24)17-8-7-16(19)20-21-17/h3-8H,9-13H2,1-2H3
InChIKeyPUKLCDKNRBGLKK-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.09
Rot. Bonds4

About 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone

1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone (PubChem CID 155161520) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone
PubChem CID155161520
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C18H22ClN5O/c1-22(2)15-5-3-14(4-6-15)13-18(25)24-11-9-23(10-12-24)17-8-7-16(19)20-21-17/h3-8H,9-13H2,1-2H3
InChIKeyPUKLCDKNRBGLKK-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone
CID 142616895
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 139547947
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]ethanone
CID 160987829
2-(4-chlorophenyl)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 110365210
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 139548175
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 158497459
1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 121038220
2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 7178188
[4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110744372
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 122342689
1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 56794216
2-(4-chlorophenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 42111861

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone (CID 155161520) is 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone is CN(C)c1ccc(CC(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc1.
What is the InChIKey of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone?
The InChIKey is PUKLCDKNRBGLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-22(2)15-5-3-14(4-6-15)13-18(25)24-11-9-23(10-12-24)17-8-7-16(19)20-21-17/h3-8H,9-13H2,1-2H3.
What are the key properties of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone?
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone has a molecular weight of 359.86 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 155161520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).