5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one

C12H15F4N3O — CID 72868732

IUPAC5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CCC(F)(F)C(F)F
InChIInChI=1S/C12H15F4N3O/c13-11(14)12(15,16)3-6-19-10(20)7-9(8-17-19)18-4-1-2-5-18/h7-8,11H,1-6H2
InChIKeyLBTNERTVOQSLJL-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.13
Rot. Bonds5

About 5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one

5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one (PubChem CID 72868732) has the molecular formula C12H15F4N3O and a molecular weight of 293.26 g/mol. Its IUPAC name is 5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one
PubChem CID72868732
Molecular FormulaC12H15F4N3O
Molecular Weight293.26 g/mol
Exact Mass293.12
IUPAC Name5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CCC(F)(F)C(F)F
InChIInChI=1S/C12H15F4N3O/c13-11(14)12(15,16)3-6-19-10(20)7-9(8-17-19)18-4-1-2-5-18/h7-8,11H,1-6H2
InChIKeyLBTNERTVOQSLJL-UHFFFAOYSA-N
XLogP2.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_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-(3,3,4,4,4-pentafluorobutyl)-3(2H)-pyridazinone
CID 28871573
2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72895285
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103366652
3,3,3-Trifluoro-2-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]propanenitrile
CID 103368204
Trifluoro-[3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746468
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114393459
5-Pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397403
Trifluoro-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]boranuide
CID 114398748
4-(3,3-difluoropyrrolidin-1-yl)-1H-pyridazin-6-one
CID 133636106
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

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one?
The IUPAC name of 5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one (CID 72868732) is 5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one.
What is the SMILES notation for 5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one?
The canonical SMILES for 5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one is O=c1cc(N2CCCC2)cnn1CCC(F)(F)C(F)F.
What is the InChIKey of 5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one?
The InChIKey is LBTNERTVOQSLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N3O/c13-11(14)12(15,16)3-6-19-10(20)7-9(8-17-19)18-4-1-2-5-18/h7-8,11H,1-6H2.
What are the key properties of 5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one?
5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one has a molecular weight of 293.26 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3-one is sourced from PubChem (CID 72868732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).