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

C13H23N3O2 — CID 55155639

IUPAC3-(3-ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCCOCCCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-4-18-9-5-6-14-12-13(17)16(8-7-15-12)10-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,14,15)
InChIKeyIPLNBDXCVQVFKX-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.74
Rot. Bonds8

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

3-(3-ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 55155639) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(3-ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(3-ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID55155639
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-(3-ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCCOCCCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-4-18-9-5-6-14-12-13(17)16(8-7-15-12)10-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,14,15)
InChIKeyIPLNBDXCVQVFKX-UHFFFAOYSA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.74
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-(3-ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(3-ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one (CID 55155639) is 3-(3-ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(3-ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(3-ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one is CCOCCCNc1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-(3-ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is IPLNBDXCVQVFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-18-9-5-6-14-12-13(17)16(8-7-15-12)10-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,14,15).
What are the key properties of 3-(3-ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one?
3-(3-ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 253.35 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 55155639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).