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

C16H18F3N5O — CID 126863989

IUPAC6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1
InChIInChI=1S/C16H18F3N5O/c1-11-2-3-15(25)24(22-11)9-12-4-6-23(7-5-12)14-8-13(16(17,18)19)20-10-21-14/h2-3,8,10,12H,4-7,9H2,1H3
InChIKeyXGHCJVXOVIIJAC-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.28
Rot. Bonds3

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

6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126863989) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is 6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126863989
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1
InChIInChI=1S/C16H18F3N5O/c1-11-2-3-15(25)24(22-11)9-12-4-6-23(7-5-12)14-8-13(16(17,18)19)20-10-21-14/h2-3,8,10,12H,4-7,9H2,1H3
InChIKeyXGHCJVXOVIIJAC-UHFFFAOYSA-N
XLogP2.28
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863975
6-pyridin-4-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942634
2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864188
6-methyl-2-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126864247
6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923564
6-methyl-2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863932
6-methyl-2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864179
4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 126863928
2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864167
3-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943532
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863941
6-methyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 62922665

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126863989) is 6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one is Cc1ccc(=O)n(CC2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1.
What is the InChIKey of 6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is XGHCJVXOVIIJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-11-2-3-15(25)24(22-11)9-12-4-6-23(7-5-12)14-8-13(16(17,18)19)20-10-21-14/h2-3,8,10,12H,4-7,9H2,1H3.
What are the key properties of 6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one?
6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 353.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126863989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).