8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline

C11H13Cl2N3 — CID 12986494

IUPAC8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
SMILESClc1cc2c(cc1Cl)N1CCNCC1CN2
InChIInChI=1S/C11H13Cl2N3/c12-8-3-10-11(4-9(8)13)16-2-1-14-5-7(16)6-15-10/h3-4,7,14-15H,1-2,5-6H2
InChIKeyDYCDNKQNLQYZCD-UHFFFAOYSA-N
MW258.15 g/mol
LogP2.20
Rot. Bonds

About 8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline

8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline (PubChem CID 12986494) has the molecular formula C11H13Cl2N3 and a molecular weight of 258.15 g/mol. Its IUPAC name is 8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline.

Molecular Properties

Compound Name8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
PubChem CID12986494
Molecular FormulaC11H13Cl2N3
Molecular Weight258.15 g/mol
Exact Mass257.05
IUPAC Name8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
SMILESClc1cc2c(cc1Cl)N1CCNCC1CN2
InChIInChI=1S/C11H13Cl2N3/c12-8-3-10-11(4-9(8)13)16-2-1-14-5-7(16)6-15-10/h3-4,7,14-15H,1-2,5-6H2
InChIKeyDYCDNKQNLQYZCD-UHFFFAOYSA-N
XLogP2.20
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline 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 8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
The IUPAC name of 8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline (CID 12986494) is 8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline.
What is the SMILES notation for 8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
The canonical SMILES for 8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline is Clc1cc2c(cc1Cl)N1CCNCC1CN2.
What is the InChIKey of 8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
The InChIKey is DYCDNKQNLQYZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3/c12-8-3-10-11(4-9(8)13)16-2-1-14-5-7(16)6-15-10/h3-4,7,14-15H,1-2,5-6H2.
What are the key properties of 8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline has a molecular weight of 258.15 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline is sourced from PubChem (CID 12986494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).