3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one

C12H9N3O2S — CID 63835083

IUPAC3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3cnccn3)ccc2C1O
InChIInChI=1S/C12H9N3O2S/c16-11-8-2-1-7(5-9(8)15-12(11)17)18-10-6-13-3-4-14-10/h1-6,11,16H,(H,15,17)
InChIKeyQIMFNPZZELAVIW-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.61
Rot. Bonds2

About 3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one

3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 63835083) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one
PubChem CID63835083
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3cnccn3)ccc2C1O
InChIInChI=1S/C12H9N3O2S/c16-11-8-2-1-7(5-9(8)15-12(11)17)18-10-6-13-3-4-14-10/h1-6,11,16H,(H,15,17)
InChIKeyQIMFNPZZELAVIW-UHFFFAOYSA-N
XLogP1.61
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one (CID 63835083) is 3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3cnccn3)ccc2C1O.
What is the InChIKey of 3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is QIMFNPZZELAVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c16-11-8-2-1-7(5-9(8)15-12(11)17)18-10-6-13-3-4-14-10/h1-6,11,16H,(H,15,17).
What are the key properties of 3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one?
3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 259.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-pyrazin-2-ylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 63835083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).