2,6-dimethylpyridazin-3-one;ethane

C8H14N2O — CID 143899652

IUPAC2,6-dimethylpyridazin-3-one;ethane
SMILESCC.Cc1ccc(=O)n(C)n1
InChIInChI=1S/C6H8N2O.C2H6/c1-5-3-4-6(9)8(2)7-5;1-2/h3-4H,1-2H3;1-2H3
InChIKeyLRAAVLHQCMWCDR-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.11
Rot. Bonds

About 2,6-dimethylpyridazin-3-one;ethane

2,6-dimethylpyridazin-3-one;ethane (PubChem CID 143899652) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,6-dimethylpyridazin-3-one;ethane.

Molecular Properties

Compound Name2,6-dimethylpyridazin-3-one;ethane
PubChem CID143899652
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2,6-dimethylpyridazin-3-one;ethane
SMILESCC.Cc1ccc(=O)n(C)n1
InChIInChI=1S/C6H8N2O.C2H6/c1-5-3-4-6(9)8(2)7-5;1-2/h3-4H,1-2H3;1-2H3
InChIKeyLRAAVLHQCMWCDR-UHFFFAOYSA-N
XLogP1.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2,6-dimethyl-2,3-dihydropyridazin-3-one
CID 33698292
3-(3-methyl-6-oxopyridazin-1(6H)-yl)propanenitrile
CID 12758417
2,6-dimethylpyridazin-3(2H)-one
CID 12200174
2-Ethenyl-6-methylpyridazin-3(2H)-one
CID 12346432
2-(2-Fluoroethyl)-6-methylpyridazin-3-one
CID 59803334
2-(2,2-Difluoroethyl)-6-methylpyridazin-3-one
CID 59803335
2-(Fluoromethyl)-6-methylpyridazin-3-one
CID 122579452
2-Methyl-6-(trifluoromethyl)pyridazin-3-one
CID 131085350
6-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 142603797
3(2H)-Pyridazinone, 6-methyl-2-(2-propenyl)-
CID 12237249
Trifluoro-[(3-methyl-6-oxopyridazin-1-yl)methyl]boranuide
CID 63705451
Trifluoro-[3-(3-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746382

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyridazin-3-one;ethane?
The IUPAC name of 2,6-dimethylpyridazin-3-one;ethane (CID 143899652) is 2,6-dimethylpyridazin-3-one;ethane.
What is the SMILES notation for 2,6-dimethylpyridazin-3-one;ethane?
The canonical SMILES for 2,6-dimethylpyridazin-3-one;ethane is CC.Cc1ccc(=O)n(C)n1.
What is the InChIKey of 2,6-dimethylpyridazin-3-one;ethane?
The InChIKey is LRAAVLHQCMWCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.C2H6/c1-5-3-4-6(9)8(2)7-5;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 2,6-dimethylpyridazin-3-one;ethane?
2,6-dimethylpyridazin-3-one;ethane has a molecular weight of 154.21 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyridazin-3-one;ethane is sourced from PubChem (CID 143899652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).