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

C11H15ClN2O — CID 18520560

IUPAC1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride
SMILESCl.c1ccc2c(c1)OCC1CNCCN21
InChIInChI=1S/C11H14N2O.ClH/c1-2-4-11-10(3-1)13-6-5-12-7-9(13)8-14-11;/h1-4,9,12H,5-8H2;1H
InChIKeyZGRLKUNDSJJMKD-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.28
Rot. Bonds

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

1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride (PubChem CID 18520560) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride
PubChem CID18520560
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride
SMILESCl.c1ccc2c(c1)OCC1CNCCN21
InChIInChI=1S/C11H14N2O.ClH/c1-2-4-11-10(3-1)13-6-5-12-7-9(13)8-14-11;/h1-4,9,12H,5-8H2;1H
InChIKeyZGRLKUNDSJJMKD-UHFFFAOYSA-N
XLogP1.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride?
The IUPAC name of 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride (CID 18520560) is 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride?
The canonical SMILES for 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride is Cl.c1ccc2c(c1)OCC1CNCCN21.
What is the InChIKey of 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride?
The InChIKey is ZGRLKUNDSJJMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-2-4-11-10(3-1)13-6-5-12-7-9(13)8-14-11;/h1-4,9,12H,5-8H2;1H.
What are the key properties of 1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride?
1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 1.28, 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;hydrochloride is sourced from PubChem (CID 18520560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).