5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one

C6H8N2O2S — CID 54695801

IUPAC5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one
SMILESCSc1c(O)cnn(C)c1=O
InChIInChI=1S/C6H8N2O2S/c1-8-6(10)5(11-2)4(9)3-7-8/h3,9H,1-2H3
InChIKeyRSYRXDSFEWYAQX-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.21
Rot. Bonds1

About 5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one

5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one (PubChem CID 54695801) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one
PubChem CID54695801
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one
SMILESCSc1c(O)cnn(C)c1=O
InChIInChI=1S/C6H8N2O2S/c1-8-6(10)5(11-2)4(9)3-7-8/h3,9H,1-2H3
InChIKeyRSYRXDSFEWYAQX-UHFFFAOYSA-N
XLogP0.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-4,5-bis(methylsulfanyl)pyridazin-3-one
CID 21680428
5-Hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one
CID 57014562
5-Hydroxy-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 57170722
5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium
CID 58493403
4-(Ethylsulfanyl)-5-hydroxy-2-methylpyridazin-3(2H)-one
CID 71360817
2-Ethyl-4-ethylsulfanyl-5-hydroxypyridazin-3-one
CID 85582613

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one?
The IUPAC name of 5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one (CID 54695801) is 5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one is CSc1c(O)cnn(C)c1=O.
What is the InChIKey of 5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one?
The InChIKey is RSYRXDSFEWYAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-8-6(10)5(11-2)4(9)3-7-8/h3,9H,1-2H3.
What are the key properties of 5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one?
5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one has a molecular weight of 172.21 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-4-methylsulfanylpyridazin-3-one is sourced from PubChem (CID 54695801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).