3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one

C8H13N3O2 — CID 114571223

IUPAC3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one
SMILESCCNCCOc1ncc[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-2-9-5-6-13-8-7(12)10-3-4-11-8/h3-4,9H,2,5-6H2,1H3,(H,10,12)
InChIKeyGIRXLZGMZKBFOV-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.24
Rot. Bonds5

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

3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one (PubChem CID 114571223) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one
PubChem CID114571223
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one
SMILESCCNCCOc1ncc[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-2-9-5-6-13-8-7(12)10-3-4-11-8/h3-4,9H,2,5-6H2,1H3,(H,10,12)
InChIKeyGIRXLZGMZKBFOV-UHFFFAOYSA-N
XLogP-0.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one (CID 114571223) is 3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one is CCNCCOc1ncc[nH]c1=O.
What is the InChIKey of 3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one?
The InChIKey is GIRXLZGMZKBFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-9-5-6-13-8-7(12)10-3-4-11-8/h3-4,9H,2,5-6H2,1H3,(H,10,12).
What are the key properties of 3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one?
3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one has a molecular weight of 183.21 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethoxy]-1H-pyrazin-2-one is sourced from PubChem (CID 114571223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).