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

C14H21N3 — CID 84626705

IUPAC10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
SMILESCCc1cccc2c1N1CCNCC1CN2C
InChIInChI=1S/C14H21N3/c1-3-11-5-4-6-13-14(11)17-8-7-15-9-12(17)10-16(13)2/h4-6,12,15H,3,7-10H2,1-2H3
InChIKeyKAGRBLDRDYROSB-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.48
Rot. Bonds1

About 10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline

10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline (PubChem CID 84626705) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline.

Molecular Properties

Compound Name10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
PubChem CID84626705
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
SMILESCCc1cccc2c1N1CCNCC1CN2C
InChIInChI=1S/C14H21N3/c1-3-11-5-4-6-13-14(11)17-8-7-15-9-12(17)10-16(13)2/h4-6,12,15H,3,7-10H2,1-2H3
InChIKeyKAGRBLDRDYROSB-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The IUPAC name of 10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline (CID 84626705) is 10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline.
What is the SMILES notation for 10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The canonical SMILES for 10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline is CCc1cccc2c1N1CCNCC1CN2C.
What is the InChIKey of 10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The InChIKey is KAGRBLDRDYROSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-11-5-4-6-13-14(11)17-8-7-15-9-12(17)10-16(13)2/h4-6,12,15H,3,7-10H2,1-2H3.
What are the key properties of 10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline has a molecular weight of 231.34 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline is sourced from PubChem (CID 84626705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).