2,4-dimethyl-5-methylsulfanylpyridazin-3-one

C7H10N2OS — CID 148708105

IUPAC2,4-dimethyl-5-methylsulfanylpyridazin-3-one
SMILESCSc1cnn(C)c(=O)c1C
InChIInChI=1S/C7H10N2OS/c1-5-6(11-3)4-8-9(2)7(5)10/h4H,1-3H3
InChIKeyNWRLWNDETXZYAX-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.81
Rot. Bonds1

About 2,4-dimethyl-5-methylsulfanylpyridazin-3-one

2,4-dimethyl-5-methylsulfanylpyridazin-3-one (PubChem CID 148708105) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2,4-dimethyl-5-methylsulfanylpyridazin-3-one.

Molecular Properties

Compound Name2,4-dimethyl-5-methylsulfanylpyridazin-3-one
PubChem CID148708105
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2,4-dimethyl-5-methylsulfanylpyridazin-3-one
SMILESCSc1cnn(C)c(=O)c1C
InChIInChI=1S/C7H10N2OS/c1-5-6(11-3)4-8-9(2)7(5)10/h4H,1-3H3
InChIKeyNWRLWNDETXZYAX-UHFFFAOYSA-N
XLogP0.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-methylsulfanylpyridazin-3-one?
The IUPAC name of 2,4-dimethyl-5-methylsulfanylpyridazin-3-one (CID 148708105) is 2,4-dimethyl-5-methylsulfanylpyridazin-3-one.
What is the SMILES notation for 2,4-dimethyl-5-methylsulfanylpyridazin-3-one?
The canonical SMILES for 2,4-dimethyl-5-methylsulfanylpyridazin-3-one is CSc1cnn(C)c(=O)c1C.
What is the InChIKey of 2,4-dimethyl-5-methylsulfanylpyridazin-3-one?
The InChIKey is NWRLWNDETXZYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5-6(11-3)4-8-9(2)7(5)10/h4H,1-3H3.
What are the key properties of 2,4-dimethyl-5-methylsulfanylpyridazin-3-one?
2,4-dimethyl-5-methylsulfanylpyridazin-3-one has a molecular weight of 170.24 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-methylsulfanylpyridazin-3-one is sourced from PubChem (CID 148708105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).