2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride

C8H19Cl2N3 — CID 155822363

IUPAC2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride
SMILESCN1CCN2CCNCC2C1.Cl.Cl
InChIInChI=1S/C8H17N3.2ClH/c1-10-4-5-11-3-2-9-6-8(11)7-10;;/h8-9H,2-7H2,1H3;2*1H
InChIKeyZPQMFQLZTFXSEX-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.05
Rot. Bonds

About 2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride

2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride (PubChem CID 155822363) has the molecular formula C8H19Cl2N3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride
PubChem CID155822363
Molecular FormulaC8H19Cl2N3
Molecular Weight228.17 g/mol
Exact Mass227.10
IUPAC Name2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride
SMILESCN1CCN2CCNCC2C1.Cl.Cl
InChIInChI=1S/C8H17N3.2ClH/c1-10-4-5-11-3-2-9-6-8(11)7-10;;/h8-9H,2-7H2,1H3;2*1H
InChIKeyZPQMFQLZTFXSEX-UHFFFAOYSA-N
XLogP0.05
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride with MolForge

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Related Compounds

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CID 138669249
2-methylsulfanyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine
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CID 45074780
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CID 170582043
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CID 71607215
1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine
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2-pentan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine
CID 167201923
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride?
The IUPAC name of 2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride (CID 155822363) is 2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride.
What is the SMILES notation for 2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride?
The canonical SMILES for 2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride is CN1CCN2CCNCC2C1.Cl.Cl.
What is the InChIKey of 2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride?
The InChIKey is ZPQMFQLZTFXSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.2ClH/c1-10-4-5-11-3-2-9-6-8(11)7-10;;/h8-9H,2-7H2,1H3;2*1H.
What are the key properties of 2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride?
2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride has a molecular weight of 228.17 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride is sourced from PubChem (CID 155822363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).