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5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one

C8H13N3OS — CID 103218515

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one
SMILESCNc1cnn(CCSC)c(=O)c1
InChIInChI=1S/C8H13N3OS/c1-9-7-5-8(12)11(10-6-7)3-4-13-2/h5-6,9H,3-4H2,1-2H3
InChIKeyPQYFRRHMYMRDBD-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.65
Rot. Bonds4

About 5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one

5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one (PubChem CID 103218515) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one
PubChem CID103218515
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one
SMILESCNc1cnn(CCSC)c(=O)c1
InChIInChI=1S/C8H13N3OS/c1-9-7-5-8(12)11(10-6-7)3-4-13-2/h5-6,9H,3-4H2,1-2H3
InChIKeyPQYFRRHMYMRDBD-UHFFFAOYSA-N
XLogP0.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one (CID 103218515) is 5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one is CNc1cnn(CCSC)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one?
The InChIKey is PQYFRRHMYMRDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-9-7-5-8(12)11(10-6-7)3-4-13-2/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one?
5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one has a molecular weight of 199.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 103218515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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