2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one

C17H20N4O4 — CID 121076220

IUPAC2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
SMILESCC(=O)N1CCN(C(=O)C(C)n2nc(-c3ccco3)ccc2=O)CC1
InChIInChI=1S/C17H20N4O4/c1-12(17(24)20-9-7-19(8-10-20)13(2)22)21-16(23)6-5-14(18-21)15-4-3-11-25-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYWFNKMUYUOEJIL-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.75
Rot. Bonds3

About 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one

2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one (PubChem CID 121076220) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
PubChem CID121076220
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
SMILESCC(=O)N1CCN(C(=O)C(C)n2nc(-c3ccco3)ccc2=O)CC1
InChIInChI=1S/C17H20N4O4/c1-12(17(24)20-9-7-19(8-10-20)13(2)22)21-16(23)6-5-14(18-21)15-4-3-11-25-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYWFNKMUYUOEJIL-UHFFFAOYSA-N
XLogP0.75
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076117
2-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121075989
6-(furan-2-yl)-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
CID 121075997
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one
CID 121101090
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide
CID 121076102
2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 121076479
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076031
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 56723989
N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076032
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)propanamide
CID 90545020
N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 121076093

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one?
The IUPAC name of 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one (CID 121076220) is 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one is CC(=O)N1CCN(C(=O)C(C)n2nc(-c3ccco3)ccc2=O)CC1.
What is the InChIKey of 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one?
The InChIKey is YWFNKMUYUOEJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-12(17(24)20-9-7-19(8-10-20)13(2)22)21-16(23)6-5-14(18-21)15-4-3-11-25-15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one?
2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one has a molecular weight of 344.37 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one is sourced from PubChem (CID 121076220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).