6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one

C17H19F3N4O — CID 126851768

IUPAC6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1
InChIInChI=1S/C17H19F3N4O/c1-12-2-5-16(25)24(22-12)11-13-6-8-23(9-7-13)15-4-3-14(10-21-15)17(18,19)20/h2-5,10,13H,6-9,11H2,1H3
InChIKeyUJYCMCDYFLAOPT-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.88
Rot. Bonds3

About 6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one

6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126851768) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126851768
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1
InChIInChI=1S/C17H19F3N4O/c1-12-2-5-16(25)24(22-12)11-13-6-8-23(9-7-13)15-4-3-14(10-21-15)17(18,19)20/h2-5,10,13H,6-9,11H2,1H3
InChIKeyUJYCMCDYFLAOPT-UHFFFAOYSA-N
XLogP2.88
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126851768) is 6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one is Cc1ccc(=O)n(CC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1.
What is the InChIKey of 6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is UJYCMCDYFLAOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-12-2-5-16(25)24(22-12)11-13-6-8-23(9-7-13)15-4-3-14(10-21-15)17(18,19)20/h2-5,10,13H,6-9,11H2,1H3.
What are the key properties of 6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 352.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126851768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).