6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C15H15F3N2O2 — CID 59400731

IUPAC6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCCc1nn(CC(F)(F)F)c(=O)c(-c2ccccc2C)c1O
InChIInChI=1S/C15H15F3N2O2/c1-3-11-13(21)12(10-7-5-4-6-9(10)2)14(22)20(19-11)8-15(16,17)18/h4-7,21H,3,8H2,1-2H3
InChIKeyMCWBRDFBGOBHOD-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.05
Rot. Bonds3

About 6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 59400731) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID59400731
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCCc1nn(CC(F)(F)F)c(=O)c(-c2ccccc2C)c1O
InChIInChI=1S/C15H15F3N2O2/c1-3-11-13(21)12(10-7-5-4-6-9(10)2)14(22)20(19-11)8-15(16,17)18/h4-7,21H,3,8H2,1-2H3
InChIKeyMCWBRDFBGOBHOD-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 59400731) is 6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is CCc1nn(CC(F)(F)F)c(=O)c(-c2ccccc2C)c1O.
What is the InChIKey of 6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is MCWBRDFBGOBHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-3-11-13(21)12(10-7-5-4-6-9(10)2)14(22)20(19-11)8-15(16,17)18/h4-7,21H,3,8H2,1-2H3.
What are the key properties of 6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 312.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 59400731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).