9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline

C16H25N3 — CID 84637933

IUPAC9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
SMILESCCc1ccc2c(c1)N1CCNCC1CN2C(C)C
InChIInChI=1S/C16H25N3/c1-4-13-5-6-15-16(9-13)18-8-7-17-10-14(18)11-19(15)12(2)3/h5-6,9,12,14,17H,4,7-8,10-11H2,1-3H3
InChIKeyPOJHLOLVQJRABB-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.26
Rot. Bonds2

About 9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline

9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline (PubChem CID 84637933) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline.

Molecular Properties

Compound Name9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
PubChem CID84637933
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
SMILESCCc1ccc2c(c1)N1CCNCC1CN2C(C)C
InChIInChI=1S/C16H25N3/c1-4-13-5-6-15-16(9-13)18-8-7-17-10-14(18)11-19(15)12(2)3/h5-6,9,12,14,17H,4,7-8,10-11H2,1-3H3
InChIKeyPOJHLOLVQJRABB-UHFFFAOYSA-N
XLogP2.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline with MolForge

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Related Compounds

6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline-8-carboxylic acid
CID 84642188
7-chloro-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84640114
2-[(4-ethylphenyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092227
6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84626679
6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84637887
3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole
CID 117203743
10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84626705
9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84640120
1-(2-bromo-4-ethylphenyl)piperazine
CID 84712435
2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-3-phenylpropanoic acid;hydrochloride
CID 155089820
9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84640117
8-(4-ethylphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole
CID 22720289

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The IUPAC name of 9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline (CID 84637933) is 9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline.
What is the SMILES notation for 9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The canonical SMILES for 9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline is CCc1ccc2c(c1)N1CCNCC1CN2C(C)C.
What is the InChIKey of 9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The InChIKey is POJHLOLVQJRABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-13-5-6-15-16(9-13)18-8-7-17-10-14(18)11-19(15)12(2)3/h5-6,9,12,14,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of 9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline has a molecular weight of 259.40 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline is sourced from PubChem (CID 84637933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).