ethane;5-ethyl-2,4-dimethylpyridazin-3-one

C10H18N2O — CID 170978453

IUPACethane;5-ethyl-2,4-dimethylpyridazin-3-one
SMILESCC.CCc1cnn(C)c(=O)c1C
InChIInChI=1S/C8H12N2O.C2H6/c1-4-7-5-9-10(3)8(11)6(7)2;1-2/h5H,4H2,1-3H3;1-2H3
InChIKeyKUAPKFCUZNHGCP-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.68
Rot. Bonds1

About ethane;5-ethyl-2,4-dimethylpyridazin-3-one

ethane;5-ethyl-2,4-dimethylpyridazin-3-one (PubChem CID 170978453) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;5-ethyl-2,4-dimethylpyridazin-3-one.

Molecular Properties

Compound Nameethane;5-ethyl-2,4-dimethylpyridazin-3-one
PubChem CID170978453
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nameethane;5-ethyl-2,4-dimethylpyridazin-3-one
SMILESCC.CCc1cnn(C)c(=O)c1C
InChIInChI=1S/C8H12N2O.C2H6/c1-4-7-5-9-10(3)8(11)6(7)2;1-2/h5H,4H2,1-3H3;1-2H3
InChIKeyKUAPKFCUZNHGCP-UHFFFAOYSA-N
XLogP1.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
CID 170587438
4-Fluoro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 172614337
6-Fluoro-2,4-dimethyl-5-propan-2-ylpyridazin-3-one
CID 172614414
2,6,7-Trimethyl-5,8-dihydrophthalazin-1-one
CID 11030602
2-Methyl-5-propan-2-ylpyridazin-3-one
CID 12864814
5-Chloro-2,4-diethylpyridazin-3-one
CID 13825166
2,4,5,6-Tetramethylpyridazin-3-one
CID 18683336
2,4,5-Trimethylpyridazin-3-one
CID 20669839
2-Butyl-4,5-ditert-butylpyridazin-3-one
CID 20872023
4,5-Ditert-butyl-2-methylpyridazin-3-one
CID 20872054
4,5-Ditert-butyl-2-propylpyridazin-3-one
CID 23552383
4-Tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 23600272

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2,4-dimethylpyridazin-3-one?
The IUPAC name of ethane;5-ethyl-2,4-dimethylpyridazin-3-one (CID 170978453) is ethane;5-ethyl-2,4-dimethylpyridazin-3-one.
What is the SMILES notation for ethane;5-ethyl-2,4-dimethylpyridazin-3-one?
The canonical SMILES for ethane;5-ethyl-2,4-dimethylpyridazin-3-one is CC.CCc1cnn(C)c(=O)c1C.
What is the InChIKey of ethane;5-ethyl-2,4-dimethylpyridazin-3-one?
The InChIKey is KUAPKFCUZNHGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-4-7-5-9-10(3)8(11)6(7)2;1-2/h5H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;5-ethyl-2,4-dimethylpyridazin-3-one?
ethane;5-ethyl-2,4-dimethylpyridazin-3-one has a molecular weight of 182.27 g/mol, XLogP of 1.68, 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-dimethylpyridazin-3-one is sourced from PubChem (CID 170978453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).