2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol

C11H19N3OS — CID 80890913

IUPAC2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
SMILESCCCNc1cncc(SCC(C)CO)n1
InChIInChI=1S/C11H19N3OS/c1-3-4-13-10-5-12-6-11(14-10)16-8-9(2)7-15/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyKVBRLRKQSQLWQX-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.02
Rot. Bonds7

About 2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol

2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol (PubChem CID 80890913) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
PubChem CID80890913
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
SMILESCCCNc1cncc(SCC(C)CO)n1
InChIInChI=1S/C11H19N3OS/c1-3-4-13-10-5-12-6-11(14-10)16-8-9(2)7-15/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyKVBRLRKQSQLWQX-UHFFFAOYSA-N
XLogP2.02
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol?
The IUPAC name of 2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol (CID 80890913) is 2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol is CCCNc1cncc(SCC(C)CO)n1.
What is the InChIKey of 2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol?
The InChIKey is KVBRLRKQSQLWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-4-13-10-5-12-6-11(14-10)16-8-9(2)7-15/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol?
2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol is sourced from PubChem (CID 80890913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).