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

C15H19N3OS — CID 103220259

IUPAC2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCSc2ccccc2)c(=O)c1
InChIInChI=1S/C15H19N3OS/c1-2-8-16-13-11-15(19)18(17-12-13)9-10-20-14-6-4-3-5-7-14/h3-7,11-12,16H,2,8-10H2,1H3
InChIKeyCVPOWMQOXAKEPY-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.86
Rot. Bonds7

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

2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one (PubChem CID 103220259) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one
PubChem CID103220259
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCSc2ccccc2)c(=O)c1
InChIInChI=1S/C15H19N3OS/c1-2-8-16-13-11-15(19)18(17-12-13)9-10-20-14-6-4-3-5-7-14/h3-7,11-12,16H,2,8-10H2,1H3
InChIKeyCVPOWMQOXAKEPY-UHFFFAOYSA-N
XLogP2.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylamino)-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103219905
2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one
CID 103220306
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one
CID 103220314
2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220165
2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223613
2-[(2,5-dichlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220082
5-(2-aminoethylamino)-2-(3-phenylpropyl)pyridazin-3-one
CID 103221075
2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one
CID 103220168
5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223452
2,2-dimethyl-6-[6-oxo-4-(propylamino)pyridazin-1-yl]hexanenitrile
CID 106714923
2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-(propylamino)pyridazin-3-one
CID 103220136

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one (CID 103220259) is 2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CCSc2ccccc2)c(=O)c1.
What is the InChIKey of 2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one?
The InChIKey is CVPOWMQOXAKEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-8-16-13-11-15(19)18(17-12-13)9-10-20-14-6-4-3-5-7-14/h3-7,11-12,16H,2,8-10H2,1H3.
What are the key properties of 2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one?
2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one has a molecular weight of 289.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).