2,4-diethyl-6-propylpyridazin-3-one;ethane

C13H24N2O — CID 90714417

IUPAC2,4-diethyl-6-propylpyridazin-3-one;ethane
SMILESCC.CCCc1cc(CC)c(=O)n(CC)n1
InChIInChI=1S/C11H18N2O.C2H6/c1-4-7-10-8-9(5-2)11(14)13(6-3)12-10;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyAGWGJAZYZOPAMS-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.80
Rot. Bonds4

About 2,4-diethyl-6-propylpyridazin-3-one;ethane

2,4-diethyl-6-propylpyridazin-3-one;ethane (PubChem CID 90714417) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2,4-diethyl-6-propylpyridazin-3-one;ethane.

Molecular Properties

Compound Name2,4-diethyl-6-propylpyridazin-3-one;ethane
PubChem CID90714417
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2,4-diethyl-6-propylpyridazin-3-one;ethane
SMILESCC.CCCc1cc(CC)c(=O)n(CC)n1
InChIInChI=1S/C11H18N2O.C2H6/c1-4-7-10-8-9(5-2)11(14)13(6-3)12-10;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyAGWGJAZYZOPAMS-UHFFFAOYSA-N
XLogP2.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2,4-di(propan-2-yl)pyridazin-3-one
CID 15054347
4-Methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one
CID 162611344
6-Methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one
CID 15054348
4-Cyclohexa-2,5-dien-1-ylidene-5-methyl-2-propan-2-ylpyrazol-3-one
CID 23534330
6-Tert-butyl-2,4-dimethylpyridazin-3-one
CID 58499036
4,5,6-Trimethyl-2-propan-2-ylpyridazin-3-one
CID 58962214
4-Ethyl-2,6-dimethylpyridazin-3-one
CID 59120442
2,4-Di(propan-2-yl)pyridazin-3-one
CID 60102693
2,6-Dipentylpyridazin-3-one
CID 67710586
2,4-Diethylpyridazin-3-one
CID 89749475
4-Ethyl-2-propan-2-ylpyridazin-3-one
CID 89887657
2,4-Diethyl-6-propylpyridazin-3-one
CID 90714418

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-6-propylpyridazin-3-one;ethane?
The IUPAC name of 2,4-diethyl-6-propylpyridazin-3-one;ethane (CID 90714417) is 2,4-diethyl-6-propylpyridazin-3-one;ethane.
What is the SMILES notation for 2,4-diethyl-6-propylpyridazin-3-one;ethane?
The canonical SMILES for 2,4-diethyl-6-propylpyridazin-3-one;ethane is CC.CCCc1cc(CC)c(=O)n(CC)n1.
What is the InChIKey of 2,4-diethyl-6-propylpyridazin-3-one;ethane?
The InChIKey is AGWGJAZYZOPAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C2H6/c1-4-7-10-8-9(5-2)11(14)13(6-3)12-10;1-2/h8H,4-7H2,1-3H3;1-2H3.
What are the key properties of 2,4-diethyl-6-propylpyridazin-3-one;ethane?
2,4-diethyl-6-propylpyridazin-3-one;ethane has a molecular weight of 224.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-6-propylpyridazin-3-one;ethane is sourced from PubChem (CID 90714417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).