4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one

C7H10N2O2S — CID 71360817

IUPAC4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one
SMILESCCSc1c(O)cnn(C)c1=O
InChIInChI=1S/C7H10N2O2S/c1-3-12-6-5(10)4-8-9(2)7(6)11/h4,10H,3H2,1-2H3
InChIKeyWDZHULRHSWCWKO-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.60
Rot. Bonds2

About 4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one

4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one (PubChem CID 71360817) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one
PubChem CID71360817
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one
SMILESCCSc1c(O)cnn(C)c1=O
InChIInChI=1S/C7H10N2O2S/c1-3-12-6-5(10)4-8-9(2)7(6)11/h4,10H,3H2,1-2H3
InChIKeyWDZHULRHSWCWKO-UHFFFAOYSA-N
XLogP0.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one?
The IUPAC name of 4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one (CID 71360817) is 4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one.
What is the SMILES notation for 4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one?
The canonical SMILES for 4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one is CCSc1c(O)cnn(C)c1=O.
What is the InChIKey of 4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one?
The InChIKey is WDZHULRHSWCWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-12-6-5(10)4-8-9(2)7(6)11/h4,10H,3H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one?
4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one has a molecular weight of 186.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-5-hydroxy-2-methylpyridazin-3-one is sourced from PubChem (CID 71360817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).