3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one

C9H15N3O2 — CID 62940280

IUPAC3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one
SMILESCCNCCOc1nccn(C)c1=O
InChIInChI=1S/C9H15N3O2/c1-3-10-5-7-14-8-9(13)12(2)6-4-11-8/h4,6,10H,3,5,7H2,1-2H3
InChIKeyIWKINABXLOVHCE-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.23
Rot. Bonds5

About 3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one

3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one (PubChem CID 62940280) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one
PubChem CID62940280
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one
SMILESCCNCCOc1nccn(C)c1=O
InChIInChI=1S/C9H15N3O2/c1-3-10-5-7-14-8-9(13)12(2)6-4-11-8/h4,6,10H,3,5,7H2,1-2H3
InChIKeyIWKINABXLOVHCE-UHFFFAOYSA-N
XLogP-0.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.23
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-(ethylamino)ethoxy]-1-methylpyrazin-2-one?
The IUPAC name of 3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one (CID 62940280) is 3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one is CCNCCOc1nccn(C)c1=O.
What is the InChIKey of 3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one?
The InChIKey is IWKINABXLOVHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-10-5-7-14-8-9(13)12(2)6-4-11-8/h4,6,10H,3,5,7H2,1-2H3.
What are the key properties of 3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one?
3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one has a molecular weight of 197.24 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethoxy]-1-methylpyrazin-2-one is sourced from PubChem (CID 62940280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).