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

C11H19N3O4 — CID 80733133

IUPAC2-[2-(2-hydroxyethoxy)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
SMILESO=C1C(=O)N2CCNCC2CN1CCOCCO
InChIInChI=1S/C11H19N3O4/c15-4-6-18-5-3-13-8-9-7-12-1-2-14(9)11(17)10(13)16/h9,12,15H,1-8H2
InChIKeyGPLSBNZFYXEWKR-UHFFFAOYSA-N
MW257.29 g/mol
LogP-2.36
Rot. Bonds5

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

2-[2-(2-hydroxyethoxy)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione (PubChem CID 80733133) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
PubChem CID80733133
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[2-(2-hydroxyethoxy)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
SMILESO=C1C(=O)N2CCNCC2CN1CCOCCO
InChIInChI=1S/C11H19N3O4/c15-4-6-18-5-3-13-8-9-7-12-1-2-14(9)11(17)10(13)16/h9,12,15H,1-8H2
InChIKeyGPLSBNZFYXEWKR-UHFFFAOYSA-N
XLogP-2.36
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-2.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(2-hydroxyethoxy)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione (CID 80733133) is 2-[2-(2-hydroxyethoxy)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione is O=C1C(=O)N2CCNCC2CN1CCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione?
The InChIKey is GPLSBNZFYXEWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c15-4-6-18-5-3-13-8-9-7-12-1-2-14(9)11(17)10(13)16/h9,12,15H,1-8H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione?
2-[2-(2-hydroxyethoxy)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione has a molecular weight of 257.29 g/mol, XLogP of -2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione is sourced from PubChem (CID 80733133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).