2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione

C11H19N3O3 — CID 80732453

IUPAC2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
SMILESCOCCCN1CC2CNCCN2C(=O)C1=O
InChIInChI=1S/C11H19N3O3/c1-17-6-2-4-13-8-9-7-12-3-5-14(9)11(16)10(13)15/h9,12H,2-8H2,1H3
InChIKeyBPZDCHPSKUFWAZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.33
Rot. Bonds4

About 2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione

2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione (PubChem CID 80732453) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione.

Molecular Properties

Compound Name2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
PubChem CID80732453
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
SMILESCOCCCN1CC2CNCCN2C(=O)C1=O
InChIInChI=1S/C11H19N3O3/c1-17-6-2-4-13-8-9-7-12-3-5-14(9)11(16)10(13)15/h9,12H,2-8H2,1H3
InChIKeyBPZDCHPSKUFWAZ-UHFFFAOYSA-N
XLogP-1.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione?
The IUPAC name of 2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione (CID 80732453) is 2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione.
What is the SMILES notation for 2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione?
The canonical SMILES for 2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione is COCCCN1CC2CNCCN2C(=O)C1=O.
What is the InChIKey of 2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione?
The InChIKey is BPZDCHPSKUFWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-17-6-2-4-13-8-9-7-12-3-5-14(9)11(16)10(13)15/h9,12H,2-8H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione?
2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione has a molecular weight of 241.29 g/mol, XLogP of -1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione is sourced from PubChem (CID 80732453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).