3-(2-methoxyethoxy)-1H-pyrazin-2-one

C7H10N2O3 — CID 103240663

IUPAC3-(2-methoxyethoxy)-1H-pyrazin-2-one
SMILESCOCCOc1ncc[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-11-4-5-12-7-6(10)8-2-3-9-7/h2-3H,4-5H2,1H3,(H,8,10)
InChIKeyNCKJDRNEBFWKRY-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.20
Rot. Bonds4

About 3-(2-methoxyethoxy)-1H-pyrazin-2-one

3-(2-methoxyethoxy)-1H-pyrazin-2-one (PubChem CID 103240663) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1H-pyrazin-2-one
PubChem CID103240663
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name3-(2-methoxyethoxy)-1H-pyrazin-2-one
SMILESCOCCOc1ncc[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-11-4-5-12-7-6(10)8-2-3-9-7/h2-3H,4-5H2,1H3,(H,8,10)
InChIKeyNCKJDRNEBFWKRY-UHFFFAOYSA-N
XLogP-0.20
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyethoxy)-1H-pyrazin-2-one?
The IUPAC name of 3-(2-methoxyethoxy)-1H-pyrazin-2-one (CID 103240663) is 3-(2-methoxyethoxy)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2-methoxyethoxy)-1H-pyrazin-2-one?
The canonical SMILES for 3-(2-methoxyethoxy)-1H-pyrazin-2-one is COCCOc1ncc[nH]c1=O.
What is the InChIKey of 3-(2-methoxyethoxy)-1H-pyrazin-2-one?
The InChIKey is NCKJDRNEBFWKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-11-4-5-12-7-6(10)8-2-3-9-7/h2-3H,4-5H2,1H3,(H,8,10).
What are the key properties of 3-(2-methoxyethoxy)-1H-pyrazin-2-one?
3-(2-methoxyethoxy)-1H-pyrazin-2-one has a molecular weight of 170.17 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1H-pyrazin-2-one is sourced from PubChem (CID 103240663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).