2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one

C17H19N3O2 — CID 92586204

IUPAC2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one
SMILESCCCC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1
InChIInChI=1S/C17H19N3O2/c1-2-6-16(21)19-11-14(12-19)20-17(22)10-9-15(18-20)13-7-4-3-5-8-13/h3-5,7-10,14H,2,6,11-12H2,1H3
InChIKeyFMSKPXJMFDWDPK-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.09
Rot. Bonds4

About 2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one

2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one (PubChem CID 92586204) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one
PubChem CID92586204
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one
SMILESCCCC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1
InChIInChI=1S/C17H19N3O2/c1-2-6-16(21)19-11-14(12-19)20-17(22)10-9-15(18-20)13-7-4-3-5-8-13/h3-5,7-10,14H,2,6,11-12H2,1H3
InChIKeyFMSKPXJMFDWDPK-UHFFFAOYSA-N
XLogP2.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 139027657
6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 139023744
6-phenyl-2-piperidin-4-ylpyridazin-3-one
CID 82105182
2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one
CID 16884527
2-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 139027819
(3R)-1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92768050
(3S)-1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92768051
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
(3S,4S)-1-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950387
2-[(1R,5S)-3-(cyclobutanecarbonyl)-3-azabicyclo[3.3.1]nonan-9-yl]-6-phenylpyridazin-3-one
CID 92575659
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649

Frequently Asked Questions

What is the IUPAC name of 2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one?
The IUPAC name of 2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one (CID 92586204) is 2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one?
The canonical SMILES for 2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one is CCCC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1.
What is the InChIKey of 2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one?
The InChIKey is FMSKPXJMFDWDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-6-16(21)19-11-14(12-19)20-17(22)10-9-15(18-20)13-7-4-3-5-8-13/h3-5,7-10,14H,2,6,11-12H2,1H3.
What are the key properties of 2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one?
2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one has a molecular weight of 297.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one is sourced from PubChem (CID 92586204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).