2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane

C9H13F3N2O — CID 142521701

IUPAC2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane
SMILESCC.Cc1cc(C(F)(F)F)nn(C)c1=O
InChIInChI=1S/C7H7F3N2O.C2H6/c1-4-3-5(7(8,9)10)11-12(2)6(4)13;1-2/h3H,1-2H3;1-2H3
InChIKeyHNRPPAFTGYAJNN-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.13
Rot. Bonds

About 2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane

2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane (PubChem CID 142521701) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane.

Molecular Properties

Compound Name2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane
PubChem CID142521701
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane
SMILESCC.Cc1cc(C(F)(F)F)nn(C)c1=O
InChIInChI=1S/C7H7F3N2O.C2H6/c1-4-3-5(7(8,9)10)11-12(2)6(4)13;1-2/h3H,1-2H3;1-2H3
InChIKeyHNRPPAFTGYAJNN-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4E)-2-methyl-4-[(E)-4-methylpent-2-enylidene]-5-(trifluoromethyl)pyrazol-3-one
CID 59887946
2-Methyl-6-(trifluoromethyl)pyridazin-3-one
CID 131085350
2,4-Dimethyl-6-(trifluoromethyl)pyridazin-3-one
CID 137453954
2,6-Dimethyl-5-(trifluoromethyl)pyridazin-3-one
CID 138715792
2-Methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one
CID 170588729
4-[(2S)-but-3-en-2-yl]-2-methyl-6-(trifluoromethyl)pyridazin-3-one
CID 170589116
4-[(Dimethylamino)methyl]-2-(2-methylpropyl)-6-(trifluoromethyl)pyridazin-3-one;hydrochloride
CID 174421172
4-[(Dimethylamino)methyl]-2-(2-methylpropyl)-6-(trifluoromethyl)pyridazin-3-one
CID 174421173
4-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 178099390
2-[3-Methyl-6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-1-yl]acetonitrile
CID 86775702
6-oxo-N-prop-2-enyl-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 133594349
1-butyl-6-oxo-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 133594360

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane?
The IUPAC name of 2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane (CID 142521701) is 2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane.
What is the SMILES notation for 2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane?
The canonical SMILES for 2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane is CC.Cc1cc(C(F)(F)F)nn(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane?
The InChIKey is HNRPPAFTGYAJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O.C2H6/c1-4-3-5(7(8,9)10)11-12(2)6(4)13;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane?
2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane has a molecular weight of 222.21 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane is sourced from PubChem (CID 142521701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).