3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one

C11H20N4O2 — CID 55155441

IUPAC3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one
SMILESCOCCNCCN(C)c1nccn(C)c1=O
InChIInChI=1S/C11H20N4O2/c1-14(7-4-12-6-9-17-3)10-11(16)15(2)8-5-13-10/h5,8,12H,4,6-7,9H2,1-3H3
InChIKeyWTIPXULCYCMOMB-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.55
Rot. Bonds7

About 3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one

3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one (PubChem CID 55155441) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one
PubChem CID55155441
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one
SMILESCOCCNCCN(C)c1nccn(C)c1=O
InChIInChI=1S/C11H20N4O2/c1-14(7-4-12-6-9-17-3)10-11(16)15(2)8-5-13-10/h5,8,12H,4,6-7,9H2,1-3H3
InChIKeyWTIPXULCYCMOMB-UHFFFAOYSA-N
XLogP-0.55
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one (CID 55155441) is 3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one is COCCNCCN(C)c1nccn(C)c1=O.
What is the InChIKey of 3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one?
The InChIKey is WTIPXULCYCMOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-14(7-4-12-6-9-17-3)10-11(16)15(2)8-5-13-10/h5,8,12H,4,6-7,9H2,1-3H3.
What are the key properties of 3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one?
3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one has a molecular weight of 240.31 g/mol, XLogP of -0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethylamino)ethyl-methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 55155441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).