2-methyl-5-methylsulfanylpyridazin-3-one

C6H8N2OS — CID 155091789

IUPAC2-methyl-5-methylsulfanylpyridazin-3-one
SMILESCSc1cnn(C)c(=O)c1
InChIInChI=1S/C6H8N2OS/c1-8-6(9)3-5(10-2)4-7-8/h3-4H,1-2H3
InChIKeyDOMKSCOCCVBESF-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.50
Rot. Bonds1

About 2-methyl-5-methylsulfanylpyridazin-3-one

2-methyl-5-methylsulfanylpyridazin-3-one (PubChem CID 155091789) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanylpyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-methylsulfanylpyridazin-3-one
PubChem CID155091789
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-methyl-5-methylsulfanylpyridazin-3-one
SMILESCSc1cnn(C)c(=O)c1
InChIInChI=1S/C6H8N2OS/c1-8-6(9)3-5(10-2)4-7-8/h3-4H,1-2H3
InChIKeyDOMKSCOCCVBESF-UHFFFAOYSA-N
XLogP0.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanylpyridazin-3-one?
The IUPAC name of 2-methyl-5-methylsulfanylpyridazin-3-one (CID 155091789) is 2-methyl-5-methylsulfanylpyridazin-3-one.
What is the SMILES notation for 2-methyl-5-methylsulfanylpyridazin-3-one?
The canonical SMILES for 2-methyl-5-methylsulfanylpyridazin-3-one is CSc1cnn(C)c(=O)c1.
What is the InChIKey of 2-methyl-5-methylsulfanylpyridazin-3-one?
The InChIKey is DOMKSCOCCVBESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-8-6(9)3-5(10-2)4-7-8/h3-4H,1-2H3.
What are the key properties of 2-methyl-5-methylsulfanylpyridazin-3-one?
2-methyl-5-methylsulfanylpyridazin-3-one has a molecular weight of 156.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanylpyridazin-3-one is sourced from PubChem (CID 155091789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).