6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one

C12H13N3OS — CID 116788217

IUPAC6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one
SMILESNc1ccc(=O)n(CCSc2ccccc2)n1
InChIInChI=1S/C12H13N3OS/c13-11-6-7-12(16)15(14-11)8-9-17-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,14)
InChIKeyAJDMQWIKYWIAQB-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.62
Rot. Bonds4

About 6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one

6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one (PubChem CID 116788217) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one
PubChem CID116788217
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one
SMILESNc1ccc(=O)n(CCSc2ccccc2)n1
InChIInChI=1S/C12H13N3OS/c13-11-6-7-12(16)15(14-11)8-9-17-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,14)
InChIKeyAJDMQWIKYWIAQB-UHFFFAOYSA-N
XLogP1.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium
CID 168824389
6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
CID 116788167
6-amino-2-pent-3-ynylpyridazin-3-one
CID 116788413
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18197054
3-amino-5-bromo-1-(2-phenylsulfanylethyl)pyridin-4-one
CID 103961886
6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one
CID 106729463
5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223238
1-(2-phenylsulfanylethyl)azepane-2,7-dione
CID 112731273
5-[2-aminoethyl(methyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223452
1-[3,5-dimethyl-1-(2-phenylsulfanylethyl)pyrazol-4-yl]ethanamine
CID 79228688
6-chloro-2-methyl-3-(2-phenylsulfanylethyl)pyrimidin-4-one
CID 114581831
methyl 4-amino-1-(2-phenylsulfanylethyl)pyrazole-3-carboxylate
CID 107344747

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one (CID 116788217) is 6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one is Nc1ccc(=O)n(CCSc2ccccc2)n1.
What is the InChIKey of 6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one?
The InChIKey is AJDMQWIKYWIAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-11-6-7-12(16)15(14-11)8-9-17-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,14).
What are the key properties of 6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one?
6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one has a molecular weight of 247.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 116788217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).