2,4-bis(3-methylbutyl)pyridazin-3-one

C14H24N2O — CID 141150690

IUPAC2,4-bis(3-methylbutyl)pyridazin-3-one
SMILESCC(C)CCc1ccnn(CCC(C)C)c1=O
InChIInChI=1S/C14H24N2O/c1-11(2)5-6-13-7-9-15-16(14(13)17)10-8-12(3)4/h7,9,11-12H,5-6,8,10H2,1-4H3
InChIKeyLGRSOPPLWUITAO-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.88
Rot. Bonds6

About 2,4-bis(3-methylbutyl)pyridazin-3-one

2,4-bis(3-methylbutyl)pyridazin-3-one (PubChem CID 141150690) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,4-bis(3-methylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name2,4-bis(3-methylbutyl)pyridazin-3-one
PubChem CID141150690
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2,4-bis(3-methylbutyl)pyridazin-3-one
SMILESCC(C)CCc1ccnn(CCC(C)C)c1=O
InChIInChI=1S/C14H24N2O/c1-11(2)5-6-13-7-9-15-16(14(13)17)10-8-12(3)4/h7,9,11-12H,5-6,8,10H2,1-4H3
InChIKeyLGRSOPPLWUITAO-UHFFFAOYSA-N
XLogP2.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-methylbutyl)pyridazin-3-one?
The IUPAC name of 2,4-bis(3-methylbutyl)pyridazin-3-one (CID 141150690) is 2,4-bis(3-methylbutyl)pyridazin-3-one.
What is the SMILES notation for 2,4-bis(3-methylbutyl)pyridazin-3-one?
The canonical SMILES for 2,4-bis(3-methylbutyl)pyridazin-3-one is CC(C)CCc1ccnn(CCC(C)C)c1=O.
What is the InChIKey of 2,4-bis(3-methylbutyl)pyridazin-3-one?
The InChIKey is LGRSOPPLWUITAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)5-6-13-7-9-15-16(14(13)17)10-8-12(3)4/h7,9,11-12H,5-6,8,10H2,1-4H3.
What are the key properties of 2,4-bis(3-methylbutyl)pyridazin-3-one?
2,4-bis(3-methylbutyl)pyridazin-3-one has a molecular weight of 236.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-methylbutyl)pyridazin-3-one is sourced from PubChem (CID 141150690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).