2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one

C11H19N3OS — CID 103220130

IUPAC2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCSCC)c(=O)c1
InChIInChI=1S/C11H19N3OS/c1-3-5-12-10-8-11(15)14(13-9-10)6-7-16-4-2/h8-9,12H,3-7H2,1-2H3
InChIKeyILPUFTZPBRDEKP-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.82
Rot. Bonds7

About 2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one

2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one (PubChem CID 103220130) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one
PubChem CID103220130
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCSCC)c(=O)c1
InChIInChI=1S/C11H19N3OS/c1-3-5-12-10-8-11(15)14(13-9-10)6-7-16-4-2/h8-9,12H,3-7H2,1-2H3
InChIKeyILPUFTZPBRDEKP-UHFFFAOYSA-N
XLogP1.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one (CID 103220130) is 2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CCSCC)c(=O)c1.
What is the InChIKey of 2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one?
The InChIKey is ILPUFTZPBRDEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-5-12-10-8-11(15)14(13-9-10)6-7-16-4-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one?
2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one has a molecular weight of 241.36 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).