6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one

C15H20F3N3O — CID 126865539

IUPAC6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)10-20-7-5-11(6-8-20)9-21-14(22)4-3-13(19-21)12-1-2-12/h3-4,11-12H,1-2,5-10H2
InChIKeyVLZSZZLUHMNESP-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.39
Rot. Bonds4

About 6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865539) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865539
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)10-20-7-5-11(6-8-20)9-21-14(22)4-3-13(19-21)12-1-2-12/h3-4,11-12H,1-2,5-10H2
InChIKeyVLZSZZLUHMNESP-UHFFFAOYSA-N
XLogP2.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126865539) is 6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is VLZSZZLUHMNESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)10-20-7-5-11(6-8-20)9-21-14(22)4-3-13(19-21)12-1-2-12/h3-4,11-12H,1-2,5-10H2.
What are the key properties of 6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 315.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).