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

C11H18N2O — CID 90714418

IUPAC2,4-diethyl-6-propylpyridazin-3-one
SMILESCCCc1cc(CC)c(=O)n(CC)n1
InChIInChI=1S/C11H18N2O/c1-4-7-10-8-9(5-2)11(14)13(6-3)12-10/h8H,4-7H2,1-3H3
InChIKeyMNNSKJWAXBBORX-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.78
Rot. Bonds4

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

2,4-diethyl-6-propylpyridazin-3-one (PubChem CID 90714418) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,4-diethyl-6-propylpyridazin-3-one.

Molecular Properties

Compound Name2,4-diethyl-6-propylpyridazin-3-one
PubChem CID90714418
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,4-diethyl-6-propylpyridazin-3-one
SMILESCCCc1cc(CC)c(=O)n(CC)n1
InChIInChI=1S/C11H18N2O/c1-4-7-10-8-9(5-2)11(14)13(6-3)12-10/h8H,4-7H2,1-3H3
InChIKeyMNNSKJWAXBBORX-UHFFFAOYSA-N
XLogP1.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.78
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;ethane
CID 90714417

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-6-propylpyridazin-3-one?
The IUPAC name of 2,4-diethyl-6-propylpyridazin-3-one (CID 90714418) is 2,4-diethyl-6-propylpyridazin-3-one.
What is the SMILES notation for 2,4-diethyl-6-propylpyridazin-3-one?
The canonical SMILES for 2,4-diethyl-6-propylpyridazin-3-one is CCCc1cc(CC)c(=O)n(CC)n1.
What is the InChIKey of 2,4-diethyl-6-propylpyridazin-3-one?
The InChIKey is MNNSKJWAXBBORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-7-10-8-9(5-2)11(14)13(6-3)12-10/h8H,4-7H2,1-3H3.
What are the key properties of 2,4-diethyl-6-propylpyridazin-3-one?
2,4-diethyl-6-propylpyridazin-3-one has a molecular weight of 194.28 g/mol, XLogP of 1.78, 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 is sourced from PubChem (CID 90714418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).