2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one

C14H22N4O2 — CID 103219554

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CC(=O)N2CCCCC2)c(=O)c1
InChIInChI=1S/C14H22N4O2/c1-11(2)16-12-8-13(19)18(15-9-12)10-14(20)17-6-4-3-5-7-17/h8-9,11,16H,3-7,10H2,1-2H3
InChIKeyZGIHNJLIWIRRCC-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.08
Rot. Bonds4

About 2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one

2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219554) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219554
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CC(=O)N2CCCCC2)c(=O)c1
InChIInChI=1S/C14H22N4O2/c1-11(2)16-12-8-13(19)18(15-9-12)10-14(20)17-6-4-3-5-7-17/h8-9,11,16H,3-7,10H2,1-2H3
InChIKeyZGIHNJLIWIRRCC-UHFFFAOYSA-N
XLogP1.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one (CID 103219554) is 2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one is CC(C)Nc1cnn(CC(=O)N2CCCCC2)c(=O)c1.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is ZGIHNJLIWIRRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(2)16-12-8-13(19)18(15-9-12)10-14(20)17-6-4-3-5-7-17/h8-9,11,16H,3-7,10H2,1-2H3.
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one?
2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 278.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).