5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one

C16H11F3N2OS — CID 166336910

IUPAC5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one
SMILESO=c1cc(-c2ccccc2)cnn1Cc1csc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N2OS/c17-16(18,19)14-6-11(10-23-14)9-21-15(22)7-13(8-20-21)12-4-2-1-3-5-12/h1-8,10H,9H2
InChIKeyJWYAZQFLIHSBJO-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.04
Rot. Bonds3

About 5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one

5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one (PubChem CID 166336910) has the molecular formula C16H11F3N2OS and a molecular weight of 336.34 g/mol. Its IUPAC name is 5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one
PubChem CID166336910
Molecular FormulaC16H11F3N2OS
Molecular Weight336.34 g/mol
Exact Mass336.05
IUPAC Name5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one
SMILESO=c1cc(-c2ccccc2)cnn1Cc1csc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N2OS/c17-16(18,19)14-6-11(10-23-14)9-21-15(22)7-13(8-20-21)12-4-2-1-3-5-12/h1-8,10H,9H2
InChIKeyJWYAZQFLIHSBJO-UHFFFAOYSA-N
XLogP4.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one (CID 166336910) is 5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one is O=c1cc(-c2ccccc2)cnn1Cc1csc(C(F)(F)F)c1.
What is the InChIKey of 5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one?
The InChIKey is JWYAZQFLIHSBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS/c17-16(18,19)14-6-11(10-23-14)9-21-15(22)7-13(8-20-21)12-4-2-1-3-5-12/h1-8,10H,9H2.
What are the key properties of 5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one?
5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one has a molecular weight of 336.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[[5-(trifluoromethyl)thiophen-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 166336910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).