2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol

C10H17N3OS — CID 71862618

IUPAC2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol
SMILESCCSc1cncc(N(CC)CCO)n1
InChIInChI=1S/C10H17N3OS/c1-3-13(5-6-14)9-7-11-8-10(12-9)15-4-2/h7-8,14H,3-6H2,1-2H3
InChIKeyVRYZLRADONBQLY-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.41
Rot. Bonds6

About 2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol

2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol (PubChem CID 71862618) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol
PubChem CID71862618
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol
SMILESCCSc1cncc(N(CC)CCO)n1
InChIInChI=1S/C10H17N3OS/c1-3-13(5-6-14)9-7-11-8-10(12-9)15-4-2/h7-8,14H,3-6H2,1-2H3
InChIKeyVRYZLRADONBQLY-UHFFFAOYSA-N
XLogP1.41
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol?
The IUPAC name of 2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol (CID 71862618) is 2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol is CCSc1cncc(N(CC)CCO)n1.
What is the InChIKey of 2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol?
The InChIKey is VRYZLRADONBQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-13(5-6-14)9-7-11-8-10(12-9)15-4-2/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol?
2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol has a molecular weight of 227.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-ethylsulfanylpyrazin-2-yl)amino]ethanol is sourced from PubChem (CID 71862618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).