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

C11H13Cl2N3 — CID 12986495

IUPAC(4aR)-8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
SMILESClc1cc2c(cc1Cl)N1CCNC[C@@H]1CN2
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/t7-/m1/s1
InChIKeyDYCDNKQNLQYZCD-SSDOTTSWSA-N
MW258.15 g/mol
LogP2.20
Rot. Bonds

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

(4aR)-8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline (PubChem CID 12986495) has the molecular formula C11H13Cl2N3 and a molecular weight of 258.15 g/mol. Its IUPAC name is (4aR)-8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline.

Molecular Properties

Compound Name(4aR)-8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
PubChem CID12986495
Molecular FormulaC11H13Cl2N3
Molecular Weight258.15 g/mol
Exact Mass257.05
IUPAC Name(4aR)-8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
SMILESClc1cc2c(cc1Cl)N1CCNC[C@@H]1CN2
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/t7-/m1/s1
InChIKeyDYCDNKQNLQYZCD-SSDOTTSWSA-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 (4aR)-8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline with MolForge

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Launch Full Analysis

Related Compounds

1-(3,4-Dichlorophenyl)piperazine
CID 93601
8,9-dichloro-2,3,4,4a-tetrahydro-1H-pyrazino(1,2-a)quinoxalin-5(6H)-one
CID 3906894
8,9-Dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
CID 12986494
(R)-8,9-Dichloro-2,3,4,4a-Tetrahydro-1H-Pyrazino[1,2-a]Quinoxalin-5(6H)-One
CID 6604916
9,10-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,2-a]quinoxalin-5-one
CID 10199361
(S)-8,9-Dichloro-2,3,4,4a-Tetrahydro-1H-Pyrazino[1,2-a]Quinoxalin-5(6H)-One
CID 12986493
(S)-8,9-Dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
CID 12986496
(R)-9-Chloro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,2-a]quinoxalin-5-one
CID 12986498
5-Chloro-2-(piperidin-1-yl)aniline
CID 285317
Quinoxaline, 1,2,3,4-tetrahydro-6-chloro-
CID 3056886
9-Chloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 9859535
8-Chloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 20378665

Frequently Asked Questions

What is the IUPAC name of (4aR)-8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
The IUPAC name of (4aR)-8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline (CID 12986495) is (4aR)-8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline.
What is the SMILES notation for (4aR)-8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
The canonical SMILES for (4aR)-8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline is Clc1cc2c(cc1Cl)N1CCNC[C@@H]1CN2.
What is the InChIKey of (4aR)-8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
The InChIKey is DYCDNKQNLQYZCD-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of (4aR)-8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
(4aR)-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 (4aR)-8,9-dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline is sourced from PubChem (CID 12986495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).