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

C9H8N2OS — CID 106518527

IUPAC3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
SMILESCc1cc(-c2ncc[nH]c2=O)cs1
InChIInChI=1S/C9H8N2OS/c1-6-4-7(5-13-6)8-9(12)11-3-2-10-8/h2-5H,1H3,(H,11,12)
InChIKeyFMNKCQHAOYMFOQ-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.81
Rot. Bonds1

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

3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one (PubChem CID 106518527) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
PubChem CID106518527
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
SMILESCc1cc(-c2ncc[nH]c2=O)cs1
InChIInChI=1S/C9H8N2OS/c1-6-4-7(5-13-6)8-9(12)11-3-2-10-8/h2-5H,1H3,(H,11,12)
InChIKeyFMNKCQHAOYMFOQ-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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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one (CID 106518527) is 3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one is Cc1cc(-c2ncc[nH]c2=O)cs1.
What is the InChIKey of 3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one?
The InChIKey is FMNKCQHAOYMFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-4-7(5-13-6)8-9(12)11-3-2-10-8/h2-5H,1H3,(H,11,12).
What are the key properties of 3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one?
3-(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 3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 106518527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).