1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine

C11H14N2O — CID 18520561

IUPAC1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
SMILESc1ccc2c(c1)OCC1CNCCN21
InChIInChI=1S/C11H14N2O/c1-2-4-11-10(3-1)13-6-5-12-7-9(13)8-14-11/h1-4,9,12H,5-8H2
InChIKeyJZKFDTSLBOMGLJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.86
Rot. Bonds

About 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine

1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine (PubChem CID 18520561) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
PubChem CID18520561
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
SMILESc1ccc2c(c1)OCC1CNCCN21
InChIInChI=1S/C11H14N2O/c1-2-4-11-10(3-1)13-6-5-12-7-9(13)8-14-11/h1-4,9,12H,5-8H2
InChIKeyJZKFDTSLBOMGLJ-UHFFFAOYSA-N
XLogP0.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine?
The IUPAC name of 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine (CID 18520561) is 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine?
The canonical SMILES for 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine is c1ccc2c(c1)OCC1CNCCN21.
What is the InChIKey of 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine?
The InChIKey is JZKFDTSLBOMGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-4-11-10(3-1)13-6-5-12-7-9(13)8-14-11/h1-4,9,12H,5-8H2.
What are the key properties of 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine?
1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine has a molecular weight of 190.25 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine is sourced from PubChem (CID 18520561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).