ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one

C13H26N2O — CID 90827651

IUPACethane;5-ethyl-2,4,6-trimethylpyridazin-3-one
SMILESCC.CC.CCc1c(C)nn(C)c(=O)c1C
InChIInChI=1S/C9H14N2O.2C2H6/c1-5-8-6(2)9(12)11(4)10-7(8)3;2*1-2/h5H2,1-4H3;2*1-2H3
InChIKeyYMOYYMFEECHKQQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.01
Rot. Bonds1

About ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one

ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one (PubChem CID 90827651) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one.

Molecular Properties

Compound Nameethane;5-ethyl-2,4,6-trimethylpyridazin-3-one
PubChem CID90827651
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Nameethane;5-ethyl-2,4,6-trimethylpyridazin-3-one
SMILESCC.CC.CCc1c(C)nn(C)c(=O)c1C
InChIInChI=1S/C9H14N2O.2C2H6/c1-5-8-6(2)9(12)11(4)10-7(8)3;2*1-2/h5H2,1-4H3;2*1-2H3
InChIKeyYMOYYMFEECHKQQ-UHFFFAOYSA-N
XLogP3.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5,6-Trimethyl-3-oxo-2,3-dihydropyridazine-4-carbonitrile
CID 25323915
2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one;propane
CID 171492845
2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 171492846
6-Methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one
CID 15054348
2,4,5,6-Tetramethylpyridazin-3-one
CID 18683336
2,5-Dimethyl-4-propan-2-ylidenepyrazol-3-one
CID 22950817
6-Tert-butyl-2,4-dimethylpyridazin-3-one
CID 58499036
2,4,6-Trimethylpyridazin-3-one
CID 58694571
3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium
CID 58719491
4,5,6-Trimethyl-2-propan-2-ylpyridazin-3-one
CID 58962214
4-Ethyl-2,6-dimethylpyridazin-3-one
CID 59120442
2,4,5-Trimethyl-6-propan-2-ylpyridazin-3-one
CID 59339231

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one?
The IUPAC name of ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one (CID 90827651) is ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one.
What is the SMILES notation for ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one?
The canonical SMILES for ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one is CC.CC.CCc1c(C)nn(C)c(=O)c1C.
What is the InChIKey of ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one?
The InChIKey is YMOYYMFEECHKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.2C2H6/c1-5-8-6(2)9(12)11(4)10-7(8)3;2*1-2/h5H2,1-4H3;2*1-2H3.
What are the key properties of ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one?
ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one has a molecular weight of 226.36 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one is sourced from PubChem (CID 90827651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).