2-(3-fluorobutyl)-5-methylpyridazin-3-one

C9H13FN2O — CID 131183205

IUPAC2-(3-fluorobutyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCC(C)F)c(=O)c1
InChIInChI=1S/C9H13FN2O/c1-7-5-9(13)12(11-6-7)4-3-8(2)10/h5-6,8H,3-4H2,1-2H3
InChIKeyFMTOEZYQFVXLHU-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.30
Rot. Bonds3

About 2-(3-fluorobutyl)-5-methylpyridazin-3-one

2-(3-fluorobutyl)-5-methylpyridazin-3-one (PubChem CID 131183205) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-(3-fluorobutyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-fluorobutyl)-5-methylpyridazin-3-one
PubChem CID131183205
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name2-(3-fluorobutyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCC(C)F)c(=O)c1
InChIInChI=1S/C9H13FN2O/c1-7-5-9(13)12(11-6-7)4-3-8(2)10/h5-6,8H,3-4H2,1-2H3
InChIKeyFMTOEZYQFVXLHU-UHFFFAOYSA-N
XLogP1.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-2,3-dihydropyridazin-3-one
CID 12200173
2-Methyl-5-(trifluoromethyl)pyridazin-3-one
CID 22508455
2-(4,4,4-Trifluorobutyl)pyridazin-3-one
CID 144132334
4-Methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
CID 146634955
2-Tert-butyl-5-(trifluoromethyl)pyridazin-3-one
CID 167172098
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one
CID 106548347
3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanenitrile
CID 106548687
Trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746486
5-Iodo-2-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114553552
2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
2-(2-Fluorobutyl)pyridazin-3-one
CID 130621297
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one
CID 130636814

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorobutyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(3-fluorobutyl)-5-methylpyridazin-3-one (CID 131183205) is 2-(3-fluorobutyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(3-fluorobutyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(3-fluorobutyl)-5-methylpyridazin-3-one is Cc1cnn(CCC(C)F)c(=O)c1.
What is the InChIKey of 2-(3-fluorobutyl)-5-methylpyridazin-3-one?
The InChIKey is FMTOEZYQFVXLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7-5-9(13)12(11-6-7)4-3-8(2)10/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2-(3-fluorobutyl)-5-methylpyridazin-3-one?
2-(3-fluorobutyl)-5-methylpyridazin-3-one has a molecular weight of 184.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorobutyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 131183205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).