2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol

C8H13N3OS — CID 78990413

IUPAC2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol
SMILESCCNc1cncc(SCCO)n1
InChIInChI=1S/C8H13N3OS/c1-2-10-7-5-9-6-8(11-7)13-4-3-12/h5-6,12H,2-4H2,1H3,(H,10,11)
InChIKeyHTYTZTCBMURIES-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.99
Rot. Bonds5

About 2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol

2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol (PubChem CID 78990413) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol
PubChem CID78990413
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol
SMILESCCNc1cncc(SCCO)n1
InChIInChI=1S/C8H13N3OS/c1-2-10-7-5-9-6-8(11-7)13-4-3-12/h5-6,12H,2-4H2,1H3,(H,10,11)
InChIKeyHTYTZTCBMURIES-UHFFFAOYSA-N
XLogP0.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol?
The IUPAC name of 2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol (CID 78990413) is 2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol.
What is the SMILES notation for 2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol?
The canonical SMILES for 2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol is CCNc1cncc(SCCO)n1.
What is the InChIKey of 2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol?
The InChIKey is HTYTZTCBMURIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-10-7-5-9-6-8(11-7)13-4-3-12/h5-6,12H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol?
2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol has a molecular weight of 199.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(ethylamino)pyrazin-2-yl]sulfanylethanol is sourced from PubChem (CID 78990413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).