2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline

C15H18N4 — CID 98763151

IUPAC2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
SMILESc1ccc2nc(N3CCN4CCC[C@H]4C3)cnc2c1
InChIInChI=1S/C15H18N4/c1-2-6-14-13(5-1)16-10-15(17-14)19-9-8-18-7-3-4-12(18)11-19/h1-2,5-6,10,12H,3-4,7-9,11H2/t12-/m0/s1
InChIKeyQGKZYSFHCJGDSU-LBPRGKRZSA-N
MW254.34 g/mol
LogP1.91
Rot. Bonds1

About 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline

2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline (PubChem CID 98763151) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline.

Molecular Properties

Compound Name2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
PubChem CID98763151
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
SMILESc1ccc2nc(N3CCN4CCC[C@H]4C3)cnc2c1
InChIInChI=1S/C15H18N4/c1-2-6-14-13(5-1)16-10-15(17-14)19-9-8-18-7-3-4-12(18)11-19/h1-2,5-6,10,12H,3-4,7-9,11H2/t12-/m0/s1
InChIKeyQGKZYSFHCJGDSU-LBPRGKRZSA-N
XLogP1.91
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline?
The IUPAC name of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline (CID 98763151) is 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline.
What is the SMILES notation for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline?
The canonical SMILES for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline is c1ccc2nc(N3CCN4CCC[C@H]4C3)cnc2c1.
What is the InChIKey of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline?
The InChIKey is QGKZYSFHCJGDSU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-6-14-13(5-1)16-10-15(17-14)19-9-8-18-7-3-4-12(18)11-19/h1-2,5-6,10,12H,3-4,7-9,11H2/t12-/m0/s1.
What are the key properties of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline?
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline has a molecular weight of 254.34 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline is sourced from PubChem (CID 98763151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).