3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one

C12H12FN3O2 — CID 113458315

IUPAC3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(Oc2c(N)cccc2F)c1=O
InChIInChI=1S/C12H12FN3O2/c1-2-16-7-6-15-11(12(16)17)18-10-8(13)4-3-5-9(10)14/h3-7H,2,14H2,1H3
InChIKeyVRGQHBHOXNYNTI-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.78
Rot. Bonds3

About 3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one

3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one (PubChem CID 113458315) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one
PubChem CID113458315
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(Oc2c(N)cccc2F)c1=O
InChIInChI=1S/C12H12FN3O2/c1-2-16-7-6-15-11(12(16)17)18-10-8(13)4-3-5-9(10)14/h3-7H,2,14H2,1H3
InChIKeyVRGQHBHOXNYNTI-UHFFFAOYSA-N
XLogP1.78
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-6-fluorophenoxy)-1-methylpyrazin-2-one
CID 104832107
3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one
CID 62929873
3-fluoro-2-isoquinolin-1-yloxyaniline
CID 104832181
3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one
CID 133447258
3-fluoro-2-pyrimidin-2-yloxyaniline
CID 104832174
3-(2-amino-3-methylphenoxy)-1-propylpyrazin-2-one
CID 55157571
1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one
CID 133447202
3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one
CID 133476976
2-(1-ethylimidazol-2-yl)-6-fluoroaniline
CID 107602831
3-bromo-2-[(3-fluoro-2-pyridinyl)oxy]aniline
CID 81499825
3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55157194
3-(3-bromo-4-fluorophenoxy)-1-propylpyrazin-2-one
CID 83231253

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one (CID 113458315) is 3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one is CCn1ccnc(Oc2c(N)cccc2F)c1=O.
What is the InChIKey of 3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one?
The InChIKey is VRGQHBHOXNYNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-2-16-7-6-15-11(12(16)17)18-10-8(13)4-3-5-9(10)14/h3-7H,2,14H2,1H3.
What are the key properties of 3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one?
3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one has a molecular weight of 249.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one is sourced from PubChem (CID 113458315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).