2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline

C11H15N3 — CID 54508354

IUPAC2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline
SMILESC1=CC2NCC3C=NCCN3C2C=C1
InChIInChI=1S/C11H15N3/c1-2-4-11-10(3-1)13-8-9-7-12-5-6-14(9)11/h1-4,7,9-11,13H,5-6,8H2
InChIKeyYHIJDWQDUWWYIR-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.21
Rot. Bonds

About 2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline

2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline (PubChem CID 54508354) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline.

Molecular Properties

Compound Name2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline
PubChem CID54508354
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline
SMILESC1=CC2NCC3C=NCCN3C2C=C1
InChIInChI=1S/C11H15N3/c1-2-4-11-10(3-1)13-8-9-7-12-5-6-14(9)11/h1-4,7,9-11,13H,5-6,8H2
InChIKeyYHIJDWQDUWWYIR-UHFFFAOYSA-N
XLogP0.21
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,4a,5-Tetrahydroquinoxaline
CID 22174869
1,2,3,4,4a,5-Hexahydropyrido[2,3-f]quinoxaline
CID 67302414
1,2,4a,8a-Tetrahydroquinoxaline
CID 88984339
2,3,5a,9a-tetrahydro-1H-1,5-benzodiazepine
CID 90804015
1,2,6,8a-Tetrahydro-1,7-naphthyridine
CID 91151447
(8aS)-1,2,4a,8a-tetrahydroquinoxaline
CID 91805170
2-Methyl-1,2,4a,8a-tetrahydroquinoxaline
CID 123555398
6,7,8,8a-Tetrahydro-1,7-naphthyridine
CID 123937552
1,2,3,8a-Tetrahydroquinoxalin-4-ium
CID 173077513
3,4,8,8a-Tetrahydroquinoxalin-5-amine
CID 175936889
(8aS)-3,4,8,8a-tetrahydroquinoxalin-5-amine
CID 176255147
1,2,3,8a-Tetrahydroquinoxaline
CID 141799550

Frequently Asked Questions

What is the IUPAC name of 2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
The IUPAC name of 2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline (CID 54508354) is 2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline.
What is the SMILES notation for 2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
The canonical SMILES for 2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline is C1=CC2NCC3C=NCCN3C2C=C1.
What is the InChIKey of 2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
The InChIKey is YHIJDWQDUWWYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-4-11-10(3-1)13-8-9-7-12-5-6-14(9)11/h1-4,7,9-11,13H,5-6,8H2.
What are the key properties of 2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline?
2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline has a molecular weight of 189.26 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4a,5,6,6a,10a-hexahydro-1H-pyrazino[1,2-a]quinoxaline is sourced from PubChem (CID 54508354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).