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

C14H13F3N2O2 — CID 59400724

IUPAC5-hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(C)nn(CC(F)(F)F)c1=O
InChIInChI=1S/C14H13F3N2O2/c1-8-5-3-4-6-10(8)11-12(20)9(2)18-19(13(11)21)7-14(15,16)17/h3-6,20H,7H2,1-2H3
InChIKeyFBFOTIXIQANDHX-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.80
Rot. Bonds2

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

5-hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 59400724) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID59400724
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name5-hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(C)nn(CC(F)(F)F)c1=O
InChIInChI=1S/C14H13F3N2O2/c1-8-5-3-4-6-10(8)11-12(20)9(2)18-19(13(11)21)7-14(15,16)17/h3-6,20H,7H2,1-2H3
InChIKeyFBFOTIXIQANDHX-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 59400724) is 5-hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is Cc1ccccc1-c1c(O)c(C)nn(CC(F)(F)F)c1=O.
What is the InChIKey of 5-hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is FBFOTIXIQANDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-8-5-3-4-6-10(8)11-12(20)9(2)18-19(13(11)21)7-14(15,16)17/h3-6,20H,7H2,1-2H3.
What are the key properties of 5-hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
5-hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 298.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 59400724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).