5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one

C17H22N4O — CID 71580092

IUPAC5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(NCCN2CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C17H22N4O/c22-17-15(14-7-3-1-4-8-14)13-16(19-20-17)18-9-12-21-10-5-2-6-11-21/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,18,19)(H,20,22)
InChIKeyZOXMRNGTWNLXOH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.33
Rot. Bonds5

About 5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one

5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one (PubChem CID 71580092) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one
PubChem CID71580092
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(NCCN2CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C17H22N4O/c22-17-15(14-7-3-1-4-8-14)13-16(19-20-17)18-9-12-21-10-5-2-6-11-21/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,18,19)(H,20,22)
InChIKeyZOXMRNGTWNLXOH-UHFFFAOYSA-N
XLogP2.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one (CID 71580092) is 5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one is O=c1[nH]nc(NCCN2CCCCC2)cc1-c1ccccc1.
What is the InChIKey of 5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one?
The InChIKey is ZOXMRNGTWNLXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17-15(14-7-3-1-4-8-14)13-16(19-20-17)18-9-12-21-10-5-2-6-11-21/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,18,19)(H,20,22).
What are the key properties of 5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one?
5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one has a molecular weight of 298.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(2-piperidin-1-ylethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 71580092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).