2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one

C16H19N3O — CID 1472493

IUPAC2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one
SMILESCn1nc(-c2ccccc2)c(N2CCCCC2)cc1=O
InChIInChI=1S/C16H19N3O/c1-18-15(20)12-14(19-10-6-3-7-11-19)16(17-18)13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3
InChIKeyQHGSXQXSYJZXHR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.44
Rot. Bonds2

About 2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one

2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one (PubChem CID 1472493) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one
PubChem CID1472493
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one
SMILESCn1nc(-c2ccccc2)c(N2CCCCC2)cc1=O
InChIInChI=1S/C16H19N3O/c1-18-15(20)12-14(19-10-6-3-7-11-19)16(17-18)13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3
InChIKeyQHGSXQXSYJZXHR-UHFFFAOYSA-N
XLogP2.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one (CID 1472493) is 2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one is Cn1nc(-c2ccccc2)c(N2CCCCC2)cc1=O.
What is the InChIKey of 2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is QHGSXQXSYJZXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-18-15(20)12-14(19-10-6-3-7-11-19)16(17-18)13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3.
What are the key properties of 2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 269.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 1472493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).