6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline

C14H21N3 — CID 84626679

IUPAC6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
SMILESCCN1CC2CNCCN2c2ccc(C)cc21
InChIInChI=1S/C14H21N3/c1-3-16-10-12-9-15-6-7-17(12)13-5-4-11(2)8-14(13)16/h4-5,8,12,15H,3,6-7,9-10H2,1-2H3
InChIKeyVHHQYNWZMCSZCK-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.61
Rot. Bonds1

About 6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline

6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline (PubChem CID 84626679) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline.

Molecular Properties

Compound Name6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
PubChem CID84626679
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
SMILESCCN1CC2CNCCN2c2ccc(C)cc21
InChIInChI=1S/C14H21N3/c1-3-16-10-12-9-15-6-7-17(12)13-5-4-11(2)8-14(13)16/h4-5,8,12,15H,3,6-7,9-10H2,1-2H3
InChIKeyVHHQYNWZMCSZCK-UHFFFAOYSA-N
XLogP1.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-8,10-dimethyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84632073
9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84640117
9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84640120
6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
CID 84631970
2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine
CID 64938636
1-(2-chloro-4-methylphenyl)-2-ethylpiperazine
CID 64931290
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117201867
9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84637933
(2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine
CID 96808511
10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84626705
2-[(4-ethylphenyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092227
6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid
CID 84642188

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The IUPAC name of 6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline (CID 84626679) is 6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline.
What is the SMILES notation for 6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The canonical SMILES for 6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline is CCN1CC2CNCCN2c2ccc(C)cc21.
What is the InChIKey of 6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The InChIKey is VHHQYNWZMCSZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-16-10-12-9-15-6-7-17(12)13-5-4-11(2)8-14(13)16/h4-5,8,12,15H,3,6-7,9-10H2,1-2H3.
What are the key properties of 6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline has a molecular weight of 231.34 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline is sourced from PubChem (CID 84626679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).