2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol

C11H19N3OS — CID 64805494

IUPAC2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
SMILESCCCNC(CO)CCSc1cnccn1
InChIInChI=1S/C11H19N3OS/c1-2-4-13-10(9-15)3-7-16-11-8-12-5-6-14-11/h5-6,8,10,13,15H,2-4,7,9H2,1H3
InChIKeyQPQSSOCUCRTUIK-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.32
Rot. Bonds8

About 2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol

2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol (PubChem CID 64805494) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
PubChem CID64805494
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
SMILESCCCNC(CO)CCSc1cnccn1
InChIInChI=1S/C11H19N3OS/c1-2-4-13-10(9-15)3-7-16-11-8-12-5-6-14-11/h5-6,8,10,13,15H,2-4,7,9H2,1H3
InChIKeyQPQSSOCUCRTUIK-UHFFFAOYSA-N
XLogP1.32
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol?
The IUPAC name of 2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol (CID 64805494) is 2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol.
What is the SMILES notation for 2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol?
The canonical SMILES for 2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol is CCCNC(CO)CCSc1cnccn1.
What is the InChIKey of 2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol?
The InChIKey is QPQSSOCUCRTUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-4-13-10(9-15)3-7-16-11-8-12-5-6-14-11/h5-6,8,10,13,15H,2-4,7,9H2,1H3.
What are the key properties of 2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol?
2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol is sourced from PubChem (CID 64805494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).