1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate

C9H10FN3O4 — CID 71498681

IUPAC1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate
SMILESCC(=O)OC(C)n1cc(F)nc(C(N)=O)c1=O
InChIInChI=1S/C9H10FN3O4/c1-4(17-5(2)14)13-3-6(10)12-7(8(11)15)9(13)16/h3-4H,1-2H3,(H2,11,15)
InChIKeyFYVCFEDMEBLFET-UHFFFAOYSA-N
MW243.19 g/mol
LogP-0.44
Rot. Bonds3

About 1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate

1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate (PubChem CID 71498681) has the molecular formula C9H10FN3O4 and a molecular weight of 243.19 g/mol. Its IUPAC name is 1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate.

Molecular Properties

Compound Name1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate
PubChem CID71498681
Molecular FormulaC9H10FN3O4
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate
SMILESCC(=O)OC(C)n1cc(F)nc(C(N)=O)c1=O
InChIInChI=1S/C9H10FN3O4/c1-4(17-5(2)14)13-3-6(10)12-7(8(11)15)9(13)16/h3-4H,1-2H3,(H2,11,15)
InChIKeyFYVCFEDMEBLFET-UHFFFAOYSA-N
XLogP-0.44
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate?
The IUPAC name of 1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate (CID 71498681) is 1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate.
What is the SMILES notation for 1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate?
The canonical SMILES for 1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate is CC(=O)OC(C)n1cc(F)nc(C(N)=O)c1=O.
What is the InChIKey of 1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate?
The InChIKey is FYVCFEDMEBLFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O4/c1-4(17-5(2)14)13-3-6(10)12-7(8(11)15)9(13)16/h3-4H,1-2H3,(H2,11,15).
What are the key properties of 1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate?
1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate has a molecular weight of 243.19 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)ethyl acetate is sourced from PubChem (CID 71498681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).