ethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C16H19F3N2O — CID 144629032

IUPACethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCC.CCc1cc(=O)n(CC(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C14H13F3N2O.C2H6/c1-2-10-8-12(20)19(9-14(15,16)17)18-13(10)11-6-4-3-5-7-11;1-2/h3-8H,2,9H2,1H3;1-2H3
InChIKeyXNOZWUYLLZQTSV-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.06
Rot. Bonds3

About ethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one

ethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 144629032) has the molecular formula C16H19F3N2O and a molecular weight of 312.34 g/mol. Its IUPAC name is ethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Nameethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID144629032
Molecular FormulaC16H19F3N2O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Nameethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCC.CCc1cc(=O)n(CC(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C14H13F3N2O.C2H6/c1-2-10-8-12(20)19(9-14(15,16)17)18-13(10)11-6-4-3-5-7-11;1-2/h3-8H,2,9H2,1H3;1-2H3
InChIKeyXNOZWUYLLZQTSV-UHFFFAOYSA-N
XLogP4.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of ethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 144629032) is ethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for ethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for ethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one is CC.CCc1cc(=O)n(CC(F)(F)F)nc1-c1ccccc1.
What is the InChIKey of ethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is XNOZWUYLLZQTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O.C2H6/c1-2-10-8-12(20)19(9-14(15,16)17)18-13(10)11-6-4-3-5-7-11;1-2/h3-8H,2,9H2,1H3;1-2H3.
What are the key properties of ethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
ethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 312.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-6-phenyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 144629032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).