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

C13H20N4O2 — CID 103219486

IUPAC2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CC(=O)N2CCCC2)c(=O)c1
InChIInChI=1S/C13H20N4O2/c1-10(2)15-11-7-12(18)17(14-8-11)9-13(19)16-5-3-4-6-16/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyUNNNXEHWTPCURU-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.69
Rot. Bonds4

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

2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219486) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219486
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CC(=O)N2CCCC2)c(=O)c1
InChIInChI=1S/C13H20N4O2/c1-10(2)15-11-7-12(18)17(14-8-11)9-13(19)16-5-3-4-6-16/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyUNNNXEHWTPCURU-UHFFFAOYSA-N
XLogP0.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.69
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-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one (CID 103219486) is 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one is CC(C)Nc1cnn(CC(=O)N2CCCC2)c(=O)c1.
What is the InChIKey of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is UNNNXEHWTPCURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(2)15-11-7-12(18)17(14-8-11)9-13(19)16-5-3-4-6-16/h7-8,10,15H,3-6,9H2,1-2H3.
What are the key properties of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one?
2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 264.33 g/mol, XLogP of 0.69, 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-pyrrolidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).