[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol

C13H19N3O — CID 82750895

IUPAC[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol
SMILESOCc1cncc(N2CCC3CCCCC32)n1
InChIInChI=1S/C13H19N3O/c17-9-11-7-14-8-13(15-11)16-6-5-10-3-1-2-4-12(10)16/h7-8,10,12,17H,1-6,9H2
InChIKeyMZZCQULSVUALNO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.74
Rot. Bonds2

About [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol

[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol (PubChem CID 82750895) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol
PubChem CID82750895
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol
SMILESOCc1cncc(N2CCC3CCCCC32)n1
InChIInChI=1S/C13H19N3O/c17-9-11-7-14-8-13(15-11)16-6-5-10-3-1-2-4-12(10)16/h7-8,10,12,17H,1-6,9H2
InChIKeyMZZCQULSVUALNO-UHFFFAOYSA-N
XLogP1.74
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol?
The IUPAC name of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol (CID 82750895) is [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol?
The canonical SMILES for [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol is OCc1cncc(N2CCC3CCCCC32)n1.
What is the InChIKey of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol?
The InChIKey is MZZCQULSVUALNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-9-11-7-14-8-13(15-11)16-6-5-10-3-1-2-4-12(10)16/h7-8,10,12,17H,1-6,9H2.
What are the key properties of [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol?
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol has a molecular weight of 233.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol is sourced from PubChem (CID 82750895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).