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

C17H18F3N3O — CID 14820826

IUPAC6-methyl-3-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCc1cc(=O)c(N2CCCCC2)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O/c1-12-10-15(24)16(22-8-3-2-4-9-22)21-23(12)14-7-5-6-13(11-14)17(18,19)20/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyRVPDXGBZPZXJAG-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.55
Rot. Bonds2

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

6-methyl-3-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (PubChem CID 14820826) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 6-methyl-3-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name6-methyl-3-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
PubChem CID14820826
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name6-methyl-3-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCc1cc(=O)c(N2CCCCC2)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O/c1-12-10-15(24)16(22-8-3-2-4-9-22)21-23(12)14-7-5-6-13(11-14)17(18,19)20/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyRVPDXGBZPZXJAG-UHFFFAOYSA-N
XLogP3.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The IUPAC name of 6-methyl-3-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (CID 14820826) is 6-methyl-3-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.
What is the SMILES notation for 6-methyl-3-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The canonical SMILES for 6-methyl-3-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is Cc1cc(=O)c(N2CCCCC2)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methyl-3-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The InChIKey is RVPDXGBZPZXJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-12-10-15(24)16(22-8-3-2-4-9-22)21-23(12)14-7-5-6-13(11-14)17(18,19)20/h5-7,10-11H,2-4,8-9H2,1H3.
What are the key properties of 6-methyl-3-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
6-methyl-3-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one has a molecular weight of 337.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is sourced from PubChem (CID 14820826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).