2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one

C11H20N2O — CID 58694574

IUPAC2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one
SMILESCCCC1CC(CC)=NN(CC)C1=O
InChIInChI=1S/C11H20N2O/c1-4-7-9-8-10(5-2)12-13(6-3)11(9)14/h9H,4-8H2,1-3H3
InChIKeyKCOAGMTUHWWUAS-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.42
Rot. Bonds4

About 2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one

2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one (PubChem CID 58694574) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one
PubChem CID58694574
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one
SMILESCCCC1CC(CC)=NN(CC)C1=O
InChIInChI=1S/C11H20N2O/c1-4-7-9-8-10(5-2)12-13(6-3)11(9)14/h9H,4-8H2,1-3H3
InChIKeyKCOAGMTUHWWUAS-UHFFFAOYSA-N
XLogP2.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one (CID 58694574) is 2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one is CCCC1CC(CC)=NN(CC)C1=O.
What is the InChIKey of 2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one?
The InChIKey is KCOAGMTUHWWUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-7-9-8-10(5-2)12-13(6-3)11(9)14/h9H,4-8H2,1-3H3.
What are the key properties of 2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one?
2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one has a molecular weight of 196.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-propyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 58694574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).