2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine

C12H25N3 — CID 167201923

IUPAC2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine
SMILESCCCC(C)N1CCN2CCNCC2C1
InChIInChI=1S/C12H25N3/c1-3-4-11(2)15-8-7-14-6-5-13-9-12(14)10-15/h11-13H,3-10H2,1-2H3
InChIKeyPUANUXWJMOWEFX-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.76
Rot. Bonds3

About 2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine

2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine (PubChem CID 167201923) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine.

Molecular Properties

Compound Name2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine
PubChem CID167201923
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine
SMILESCCCC(C)N1CCN2CCNCC2C1
InChIInChI=1S/C12H25N3/c1-3-4-11(2)15-8-7-14-6-5-13-9-12(14)10-15/h11-13H,3-10H2,1-2H3
InChIKeyPUANUXWJMOWEFX-UHFFFAOYSA-N
XLogP0.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-heptan-4-ylazetidin-3-yl)piperazine
CID 66203956
(2R)-2-methyl-1-[(2S)-pentan-2-yl]piperazine
CID 124680628
2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride
CID 155822363
2-ethyl-1-pentan-2-ylpiperazine
CID 64938053
2-methylsulfanyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine
CID 142537625
1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine
CID 116535679
(1-pentan-2-ylpiperazin-2-yl)methanamine
CID 107895649
3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile
CID 66196757
2-(1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)propane-2-thiol
CID 138669249
1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine
CID 66202032
1-methyl-4-[(2R)-pentan-2-yl]piperazine
CID 97304611
1-(azetidin-3-yl)-3-propylpiperazine;hydrochloride
CID 131203794

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine?
The IUPAC name of 2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine (CID 167201923) is 2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine.
What is the SMILES notation for 2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine?
The canonical SMILES for 2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine is CCCC(C)N1CCN2CCNCC2C1.
What is the InChIKey of 2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine?
The InChIKey is PUANUXWJMOWEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-4-11(2)15-8-7-14-6-5-13-9-12(14)10-15/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine?
2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine has a molecular weight of 211.35 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine is sourced from PubChem (CID 167201923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).