1-pyrazin-2-ylsulfanylpentan-2-one

C9H12N2OS — CID 63381330

IUPAC1-pyrazin-2-ylsulfanylpentan-2-one
SMILESCCCC(=O)CSc1cnccn1
InChIInChI=1S/C9H12N2OS/c1-2-3-8(12)7-13-9-6-10-4-5-11-9/h4-6H,2-3,7H2,1H3
InChIKeyJZGZXHVWLFCHFX-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.94
Rot. Bonds5

About 1-pyrazin-2-ylsulfanylpentan-2-one

1-pyrazin-2-ylsulfanylpentan-2-one (PubChem CID 63381330) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 1-pyrazin-2-ylsulfanylpentan-2-one.

Molecular Properties

Compound Name1-pyrazin-2-ylsulfanylpentan-2-one
PubChem CID63381330
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name1-pyrazin-2-ylsulfanylpentan-2-one
SMILESCCCC(=O)CSc1cnccn1
InChIInChI=1S/C9H12N2OS/c1-2-3-8(12)7-13-9-6-10-4-5-11-9/h4-6H,2-3,7H2,1H3
InChIKeyJZGZXHVWLFCHFX-UHFFFAOYSA-N
XLogP1.94
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylsulfanylpentan-2-one?
The IUPAC name of 1-pyrazin-2-ylsulfanylpentan-2-one (CID 63381330) is 1-pyrazin-2-ylsulfanylpentan-2-one.
What is the SMILES notation for 1-pyrazin-2-ylsulfanylpentan-2-one?
The canonical SMILES for 1-pyrazin-2-ylsulfanylpentan-2-one is CCCC(=O)CSc1cnccn1.
What is the InChIKey of 1-pyrazin-2-ylsulfanylpentan-2-one?
The InChIKey is JZGZXHVWLFCHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-3-8(12)7-13-9-6-10-4-5-11-9/h4-6H,2-3,7H2,1H3.
What are the key properties of 1-pyrazin-2-ylsulfanylpentan-2-one?
1-pyrazin-2-ylsulfanylpentan-2-one has a molecular weight of 196.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylsulfanylpentan-2-one is sourced from PubChem (CID 63381330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).