2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline

C11H15N3 — CID 10487891

IUPAC2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
SMILESc1ccc2c(c1)NCC1CNCCN21
InChIInChI=1S/C11H15N3/c1-2-4-11-10(3-1)13-8-9-7-12-5-6-14(9)11/h1-4,9,12-13H,5-8H2
InChIKeyPVOSECZBLPUJLZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.89
Rot. Bonds

About 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline

2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline (PubChem CID 10487891) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline.

Molecular Properties

Compound Name2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
PubChem CID10487891
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
SMILESc1ccc2c(c1)NCC1CNCCN21
InChIInChI=1S/C11H15N3/c1-2-4-11-10(3-1)13-8-9-7-12-5-6-14(9)11/h1-4,9,12-13H,5-8H2
InChIKeyPVOSECZBLPUJLZ-UHFFFAOYSA-N
XLogP0.89
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
The IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline (CID 10487891) is 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline.
What is the SMILES notation for 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
The canonical SMILES for 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline is c1ccc2c(c1)NCC1CNCCN21.
What is the InChIKey of 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
The InChIKey is PVOSECZBLPUJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-4-11-10(3-1)13-8-9-7-12-5-6-14(9)11/h1-4,9,12-13H,5-8H2.
What are the key properties of 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline has a molecular weight of 189.26 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline is sourced from PubChem (CID 10487891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).