2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one

C13H20FN3O — CID 72895285

IUPAC2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CCCCCF
InChIInChI=1S/C13H20FN3O/c14-6-2-1-3-9-17-13(18)10-12(11-15-17)16-7-4-5-8-16/h10-11H,1-9H2
InChIKeyAGOVZYKFMFVLPV-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.98
Rot. Bonds6

About 2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one

2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 72895285) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID72895285
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CCCCCF
InChIInChI=1S/C13H20FN3O/c14-6-2-1-3-9-17-13(18)10-12(11-15-17)16-7-4-5-8-16/h10-11H,1-9H2
InChIKeyAGOVZYKFMFVLPV-UHFFFAOYSA-N
XLogP1.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-difluoroethyl)-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 30937350
5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)-3(2H)-pyridazinone
CID 28871573
5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3(2H)-one
CID 72868732
Trifluoro-[3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746468
Trifluoro-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]boranuide
CID 114398748
2-Methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 101073859
2-(2-chloro-2-propen-1-yl)-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 30897844
5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3(2H)-one
CID 72846983
5-(dimethylamino)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188706
5-Amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 103218227
Potassium trifluoro-[3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746467

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one (CID 72895285) is 2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one is O=c1cc(N2CCCC2)cnn1CCCCCF.
What is the InChIKey of 2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is AGOVZYKFMFVLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c14-6-2-1-3-9-17-13(18)10-12(11-15-17)16-7-4-5-8-16/h10-11H,1-9H2.
What are the key properties of 2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one?
2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 253.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72895285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).