3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one

C12H21N3O2 — CID 55155452

IUPAC3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCCOCCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C12H21N3O2/c1-4-17-8-6-14-11-12(16)15(7-5-13-11)9-10(2)3/h5,7,10H,4,6,8-9H2,1-3H3,(H,13,14)
InChIKeyOFLLMFHZNTTYFT-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.35
Rot. Bonds7

About 3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one

3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 55155452) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID55155452
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCCOCCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C12H21N3O2/c1-4-17-8-6-14-11-12(16)15(7-5-13-11)9-10(2)3/h5,7,10H,4,6,8-9H2,1-3H3,(H,13,14)
InChIKeyOFLLMFHZNTTYFT-UHFFFAOYSA-N
XLogP1.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one (CID 55155452) is 3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one is CCOCCNc1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is OFLLMFHZNTTYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-17-8-6-14-11-12(16)15(7-5-13-11)9-10(2)3/h5,7,10H,4,6,8-9H2,1-3H3,(H,13,14).
What are the key properties of 3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one?
3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 239.32 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 55155452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).