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

C15H19N3O2S — CID 103223238

IUPAC5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one
SMILESNCCCOc1cnn(CCSc2ccccc2)c(=O)c1
InChIInChI=1S/C15H19N3O2S/c16-7-4-9-20-13-11-15(19)18(17-12-13)8-10-21-14-5-2-1-3-6-14/h1-3,5-6,11-12H,4,7-10,16H2
InChIKeyNQXSXDVDDGMCLO-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.76
Rot. Bonds8

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

5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one (PubChem CID 103223238) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one
PubChem CID103223238
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one
SMILESNCCCOc1cnn(CCSc2ccccc2)c(=O)c1
InChIInChI=1S/C15H19N3O2S/c16-7-4-9-20-13-11-15(19)18(17-12-13)8-10-21-14-5-2-1-3-6-14/h1-3,5-6,11-12H,4,7-10,16H2
InChIKeyNQXSXDVDDGMCLO-UHFFFAOYSA-N
XLogP1.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one
CID 103223312
5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223452
5-(2-aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
3-[4-(3-aminopropoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
CID 103223298
5-(3-aminopropoxy)-2-[[4-(hydroxymethyl)phenyl]methyl]pyridazin-3-one
CID 103223290
5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223183
5-(3-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103223128
5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103219905
4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]butanenitrile
CID 103222795
5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103223131
5-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]pentanenitrile
CID 103222821
5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one
CID 103222731

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The IUPAC name of 5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one (CID 103223238) is 5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The canonical SMILES for 5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one is NCCCOc1cnn(CCSc2ccccc2)c(=O)c1.
What is the InChIKey of 5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The InChIKey is NQXSXDVDDGMCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-7-4-9-20-13-11-15(19)18(17-12-13)8-10-21-14-5-2-1-3-6-14/h1-3,5-6,11-12H,4,7-10,16H2.
What are the key properties of 5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one?
5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one has a molecular weight of 305.40 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 103223238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).