6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one

C9H8N2OS — CID 106518555

IUPAC6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
SMILESCc1cc(-c2cncc(=O)[nH]2)cs1
InChIInChI=1S/C9H8N2OS/c1-6-2-7(5-13-6)8-3-10-4-9(12)11-8/h2-5H,1H3,(H,11,12)
InChIKeyLSFRRXPYSKACAG-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.81
Rot. Bonds1

About 6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one

6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one (PubChem CID 106518555) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
PubChem CID106518555
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
SMILESCc1cc(-c2cncc(=O)[nH]2)cs1
InChIInChI=1S/C9H8N2OS/c1-6-2-7(5-13-6)8-3-10-4-9(12)11-8/h2-5H,1H3,(H,11,12)
InChIKeyLSFRRXPYSKACAG-UHFFFAOYSA-N
XLogP1.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(6-methyl-3-pyridinyl)-1H-pyrazin-2-one
CID 106517757
6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one
CID 68607908
6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one
CID 106514360
3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one
CID 106518542
2-methyl-5-(6-oxo-1H-pyrazin-2-yl)benzamide
CID 68607906
5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one
CID 106518511
5-(5-methylthiophen-3-yl)-3H-1,3,4-thiadiazol-2-one
CID 106518530
4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769330
2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136769320
3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
CID 106518527
ethane;3-(5-methylthiophen-3-yl)pyridine
CID 143670702
2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid
CID 130697506

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one?
The IUPAC name of 6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one (CID 106518555) is 6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one?
The canonical SMILES for 6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one is Cc1cc(-c2cncc(=O)[nH]2)cs1.
What is the InChIKey of 6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one?
The InChIKey is LSFRRXPYSKACAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-2-7(5-13-6)8-3-10-4-9(12)11-8/h2-5H,1H3,(H,11,12).
What are the key properties of 6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one?
6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one has a molecular weight of 192.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 106518555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).