2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one

C9H11F3N2O — CID 170588729

IUPAC2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)c1cc(C(F)(F)F)nn(C)c1=O
InChIInChI=1S/C9H11F3N2O/c1-5(2)6-4-7(9(10,11)12)13-14(3)8(6)15/h4-5H,1-3H3
InChIKeyXSDXODJDRMPYSA-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.92
Rot. Bonds1

About 2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one

2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 170588729) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one
PubChem CID170588729
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)c1cc(C(F)(F)F)nn(C)c1=O
InChIInChI=1S/C9H11F3N2O/c1-5(2)6-4-7(9(10,11)12)13-14(3)8(6)15/h4-5H,1-3H3
InChIKeyXSDXODJDRMPYSA-UHFFFAOYSA-N
XLogP1.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.92
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
2,4-Dimethyl-6-(trifluoromethyl)pyridazin-3-one
CID 137453954
2,4-Dimethyl-6-(trifluoromethyl)pyridazin-3-one;ethane
CID 142521701
2-Methyl-6-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
CID 162773660
5-propan-2-yl-3-(trifluoromethyl)-1H-pyridazin-6-one
CID 168936261
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
CID 174421173
2-(2,2-Difluoroethyl)-4-propan-2-ylpyridazin-3-one
CID 178099321
4-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 178099390
4-Propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 178099526
6-Methyl-2,4-di(propan-2-yl)pyridazin-3-one
CID 15054347
4-Methyl-2-propyl-6-(trifluoromethyl)pyridazin-3-one
CID 162611344

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one (CID 170588729) is 2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one is CC(C)c1cc(C(F)(F)F)nn(C)c1=O.
What is the InChIKey of 2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is XSDXODJDRMPYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5(2)6-4-7(9(10,11)12)13-14(3)8(6)15/h4-5H,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one?
2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 220.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 170588729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).