5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one

C15H17N3OS — CID 103219905

IUPAC5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one
SMILESO=c1cc(NC2CC2)cnn1CCSc1ccccc1
InChIInChI=1S/C15H17N3OS/c19-15-10-13(17-12-6-7-12)11-16-18(15)8-9-20-14-4-2-1-3-5-14/h1-5,10-12,17H,6-9H2
InChIKeyNELYZOKAIXPFKS-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.61
Rot. Bonds6

About 5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one

5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one (PubChem CID 103219905) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one
PubChem CID103219905
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one
SMILESO=c1cc(NC2CC2)cnn1CCSc1ccccc1
InChIInChI=1S/C15H17N3OS/c19-15-10-13(17-12-6-7-12)11-16-18(15)8-9-20-14-4-2-1-3-5-14/h1-5,10-12,17H,6-9H2
InChIKeyNELYZOKAIXPFKS-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The IUPAC name of 5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one (CID 103219905) is 5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one is O=c1cc(NC2CC2)cnn1CCSc1ccccc1.
What is the InChIKey of 5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The InChIKey is NELYZOKAIXPFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-15-10-13(17-12-6-7-12)11-16-18(15)8-9-20-14-4-2-1-3-5-14/h1-5,10-12,17H,6-9H2.
What are the key properties of 5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one?
5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one has a molecular weight of 287.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 103219905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).