2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one

C10H12F3N3O — CID 126857494

IUPAC2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1C1CCCNC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-3-4-9(17)16(15-8)7-2-1-5-14-6-7/h3-4,7,14H,1-2,5-6H2
InChIKeyFLCVMRDFDKMPJB-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.19
Rot. Bonds1

About 2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one

2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 126857494) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one
PubChem CID126857494
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1C1CCCNC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-3-4-9(17)16(15-8)7-2-1-5-14-6-7/h3-4,7,14H,1-2,5-6H2
InChIKeyFLCVMRDFDKMPJB-UHFFFAOYSA-N
XLogP1.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one (CID 126857494) is 2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one is O=c1ccc(C(F)(F)F)nn1C1CCCNC1.
What is the InChIKey of 2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is FLCVMRDFDKMPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-3-4-9(17)16(15-8)7-2-1-5-14-6-7/h3-4,7,14H,1-2,5-6H2.
What are the key properties of 2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one?
2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 247.22 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 126857494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).