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

C16H17F3N2O2 — CID 59400730

IUPAC5-hydroxy-4-(2-methylphenyl)-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(C(C)C)nn(CC(F)(F)F)c1=O
InChIInChI=1S/C16H17F3N2O2/c1-9(2)13-14(22)12(11-7-5-4-6-10(11)3)15(23)21(20-13)8-16(17,18)19/h4-7,9,22H,8H2,1-3H3
InChIKeyBIMVWCOEAXJGPH-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.61
Rot. Bonds3

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

5-hydroxy-4-(2-methylphenyl)-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 59400730) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 5-hydroxy-4-(2-methylphenyl)-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-4-(2-methylphenyl)-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID59400730
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name5-hydroxy-4-(2-methylphenyl)-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(C(C)C)nn(CC(F)(F)F)c1=O
InChIInChI=1S/C16H17F3N2O2/c1-9(2)13-14(22)12(11-7-5-4-6-10(11)3)15(23)21(20-13)8-16(17,18)19/h4-7,9,22H,8H2,1-3H3
InChIKeyBIMVWCOEAXJGPH-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(2-methylbenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 56689831
2-(2,2-Difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400695
2-(2,2-Difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400696
6-[(4-Fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 59400700
6-[(2-Fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 59400701
2-(2,2-Difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one
CID 59400703
6-[(2-Fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 59400709
2-Ethyl-6-[(4-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400718
6-[(4-Fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 59400719
5-Hydroxy-6-methyl-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 59400724
2-Ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400725
6-Ethyl-5-hydroxy-4-(2-methylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 59400731

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(2-methylphenyl)-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-4-(2-methylphenyl)-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 59400730) is 5-hydroxy-4-(2-methylphenyl)-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-4-(2-methylphenyl)-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-4-(2-methylphenyl)-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one is Cc1ccccc1-c1c(O)c(C(C)C)nn(CC(F)(F)F)c1=O.
What is the InChIKey of 5-hydroxy-4-(2-methylphenyl)-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is BIMVWCOEAXJGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-9(2)13-14(22)12(11-7-5-4-6-10(11)3)15(23)21(20-13)8-16(17,18)19/h4-7,9,22H,8H2,1-3H3.
What are the key properties of 5-hydroxy-4-(2-methylphenyl)-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
5-hydroxy-4-(2-methylphenyl)-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 326.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(2-methylphenyl)-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 59400730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).