[3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate

C10H9N3O3 — CID 174686669

IUPAC[3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate
SMILESCC(=O)Oc1nc(-c2ccoc2)cnc1N
InChIInChI=1S/C10H9N3O3/c1-6(14)16-10-9(11)12-4-8(13-10)7-2-3-15-5-7/h2-5H,1H3,(H2,11,12)
InChIKeyXYPAOQLZQVTUBU-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.24
Rot. Bonds2

About [3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate

[3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate (PubChem CID 174686669) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is [3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate.

Molecular Properties

Compound Name[3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate
PubChem CID174686669
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name[3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate
SMILESCC(=O)Oc1nc(-c2ccoc2)cnc1N
InChIInChI=1S/C10H9N3O3/c1-6(14)16-10-9(11)12-4-8(13-10)7-2-3-15-5-7/h2-5H,1H3,(H2,11,12)
InChIKeyXYPAOQLZQVTUBU-UHFFFAOYSA-N
XLogP1.24
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate?
The IUPAC name of [3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate (CID 174686669) is [3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate.
What is the SMILES notation for [3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate?
The canonical SMILES for [3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate is CC(=O)Oc1nc(-c2ccoc2)cnc1N.
What is the InChIKey of [3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate?
The InChIKey is XYPAOQLZQVTUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-6(14)16-10-9(11)12-4-8(13-10)7-2-3-15-5-7/h2-5H,1H3,(H2,11,12).
What are the key properties of [3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate?
[3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate has a molecular weight of 219.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate is sourced from PubChem (CID 174686669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).