1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol

C9H15N3OS — CID 63381001

IUPAC1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
SMILESCCNCC(O)CSc1cnccn1
InChIInChI=1S/C9H15N3OS/c1-2-10-5-8(13)7-14-9-6-11-3-4-12-9/h3-4,6,8,10,13H,2,5,7H2,1H3
InChIKeyOJLGAWWLUGGDLT-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.54
Rot. Bonds6

About 1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol

1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol (PubChem CID 63381001) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
PubChem CID63381001
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
SMILESCCNCC(O)CSc1cnccn1
InChIInChI=1S/C9H15N3OS/c1-2-10-5-8(13)7-14-9-6-11-3-4-12-9/h3-4,6,8,10,13H,2,5,7H2,1H3
InChIKeyOJLGAWWLUGGDLT-UHFFFAOYSA-N
XLogP0.54
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol (CID 63381001) is 1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol is CCNCC(O)CSc1cnccn1.
What is the InChIKey of 1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The InChIKey is OJLGAWWLUGGDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-10-5-8(13)7-14-9-6-11-3-4-12-9/h3-4,6,8,10,13H,2,5,7H2,1H3.
What are the key properties of 1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol has a molecular weight of 213.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 63381001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).