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

C11H14F3N3O — CID 126857496

IUPAC2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1CC1CCCNC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-3-4-10(18)17(16-9)7-8-2-1-5-15-6-8/h3-4,8,15H,1-2,5-7H2
InChIKeyPERNHCDGYJASIY-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.26
Rot. Bonds2

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

2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 126857496) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one
PubChem CID126857496
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1CC1CCCNC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-3-4-10(18)17(16-9)7-8-2-1-5-15-6-8/h3-4,8,15H,1-2,5-7H2
InChIKeyPERNHCDGYJASIY-UHFFFAOYSA-N
XLogP1.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one (CID 126857496) is 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one is O=c1ccc(C(F)(F)F)nn1CC1CCCNC1.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is PERNHCDGYJASIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)9-3-4-10(18)17(16-9)7-8-2-1-5-15-6-8/h3-4,8,15H,1-2,5-7H2.
What are the key properties of 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one?
2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 261.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 126857496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).