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

C11H17Cl2N3 — CID 142652132

IUPAC2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)NCC1CNCCN21
InChIInChI=1S/C11H15N3.2ClH/c1-2-4-11-10(3-1)13-8-9-7-12-5-6-14(9)11;;/h1-4,9,12-13H,5-8H2;2*1H
InChIKeyYNYCTOULRPHNTH-UHFFFAOYSA-N
MW262.18 g/mol
LogP1.73
Rot. Bonds

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

2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride (PubChem CID 142652132) has the molecular formula C11H17Cl2N3 and a molecular weight of 262.18 g/mol. Its IUPAC name is 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride.

Molecular Properties

Compound Name2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride
PubChem CID142652132
Molecular FormulaC11H17Cl2N3
Molecular Weight262.18 g/mol
Exact Mass261.08
IUPAC Name2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)NCC1CNCCN21
InChIInChI=1S/C11H15N3.2ClH/c1-2-4-11-10(3-1)13-8-9-7-12-5-6-14(9)11;;/h1-4,9,12-13H,5-8H2;2*1H
InChIKeyYNYCTOULRPHNTH-UHFFFAOYSA-N
XLogP1.73
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 51.73
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;dihydrochloride?
The IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride (CID 142652132) is 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride.
What is the SMILES notation for 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride?
The canonical SMILES for 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride is Cl.Cl.c1ccc2c(c1)NCC1CNCCN21.
What is the InChIKey of 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride?
The InChIKey is YNYCTOULRPHNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.2ClH/c1-2-4-11-10(3-1)13-8-9-7-12-5-6-14(9)11;;/h1-4,9,12-13H,5-8H2;2*1H.
What are the key properties of 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride?
2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline;dihydrochloride has a molecular weight of 262.18 g/mol, XLogP of 1.73, 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;dihydrochloride is sourced from PubChem (CID 142652132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).