2-cyclobutyl-5-methylpyridazin-3-one;propane

C12H20N2O — CID 171811526

IUPAC2-cyclobutyl-5-methylpyridazin-3-one;propane
SMILESCCC.Cc1cnn(C2CCC2)c(=O)c1
InChIInChI=1S/C9H12N2O.C3H8/c1-7-5-9(12)11(10-6-7)8-3-2-4-8;1-3-2/h5-6,8H,2-4H2,1H3;3H2,1-2H3
InChIKeyXOXHXWGJEHKBDZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.69
Rot. Bonds1

About 2-cyclobutyl-5-methylpyridazin-3-one;propane

2-cyclobutyl-5-methylpyridazin-3-one;propane (PubChem CID 171811526) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-cyclobutyl-5-methylpyridazin-3-one;propane.

Molecular Properties

Compound Name2-cyclobutyl-5-methylpyridazin-3-one;propane
PubChem CID171811526
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-cyclobutyl-5-methylpyridazin-3-one;propane
SMILESCCC.Cc1cnn(C2CCC2)c(=O)c1
InChIInChI=1S/C9H12N2O.C3H8/c1-7-5-9(12)11(10-6-7)8-3-2-4-8;1-3-2/h5-6,8H,2-4H2,1H3;3H2,1-2H3
InChIKeyXOXHXWGJEHKBDZ-UHFFFAOYSA-N
XLogP2.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205
4,5-Dimethyl-2-propan-2-ylpyridazin-3-one
CID 58336857
4-Methyl-2-propan-2-ylpyridazin-3-one
CID 123829698
2-Ethyl-5-methyl-2,3-dihydropyridazin-3-one
CID 124252037
5-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 125451803
2-Cyclopropyl-5-methylpyridazin-3(2H)-one
CID 125452004
5-Methyl-2-prop-2-enylpyridazin-3-one
CID 130677854
Ethane;5-methyl-2-propan-2-ylpyridazin-3-one
CID 169135485
5-Methyl-2-(1-methylazetidin-3-yl)pyridazin-3-one
CID 170122353
2-Butyl-4-methylpyridazin-3-one
CID 174155092
Ethane;4-methyl-2-propylpyridazin-3-one
CID 178099239

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-methylpyridazin-3-one;propane?
The IUPAC name of 2-cyclobutyl-5-methylpyridazin-3-one;propane (CID 171811526) is 2-cyclobutyl-5-methylpyridazin-3-one;propane.
What is the SMILES notation for 2-cyclobutyl-5-methylpyridazin-3-one;propane?
The canonical SMILES for 2-cyclobutyl-5-methylpyridazin-3-one;propane is CCC.Cc1cnn(C2CCC2)c(=O)c1.
What is the InChIKey of 2-cyclobutyl-5-methylpyridazin-3-one;propane?
The InChIKey is XOXHXWGJEHKBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C3H8/c1-7-5-9(12)11(10-6-7)8-3-2-4-8;1-3-2/h5-6,8H,2-4H2,1H3;3H2,1-2H3.
What are the key properties of 2-cyclobutyl-5-methylpyridazin-3-one;propane?
2-cyclobutyl-5-methylpyridazin-3-one;propane has a molecular weight of 208.30 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-methylpyridazin-3-one;propane is sourced from PubChem (CID 171811526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).