1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one

C12H21N3O2 — CID 55155853

IUPAC1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one
SMILESCCCNCCOc1nccn(CCC)c1=O
InChIInChI=1S/C12H21N3O2/c1-3-5-13-7-10-17-11-12(16)15(8-4-2)9-6-14-11/h6,9,13H,3-5,7-8,10H2,1-2H3
InChIKeyZJNZADCFMIAMOF-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.03
Rot. Bonds8

About 1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one

1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one (PubChem CID 55155853) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one.

Molecular Properties

Compound Name1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one
PubChem CID55155853
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one
SMILESCCCNCCOc1nccn(CCC)c1=O
InChIInChI=1S/C12H21N3O2/c1-3-5-13-7-10-17-11-12(16)15(8-4-2)9-6-14-11/h6,9,13H,3-5,7-8,10H2,1-2H3
InChIKeyZJNZADCFMIAMOF-UHFFFAOYSA-N
XLogP1.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.03
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 1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one?
The IUPAC name of 1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one (CID 55155853) is 1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one.
What is the SMILES notation for 1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one?
The canonical SMILES for 1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one is CCCNCCOc1nccn(CCC)c1=O.
What is the InChIKey of 1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one?
The InChIKey is ZJNZADCFMIAMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-5-13-7-10-17-11-12(16)15(8-4-2)9-6-14-11/h6,9,13H,3-5,7-8,10H2,1-2H3.
What are the key properties of 1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one?
1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one has a molecular weight of 239.32 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[2-(propylamino)ethoxy]pyrazin-2-one is sourced from PubChem (CID 55155853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).