1-pyrazin-2-ylethyl acetate

C8H10N2O2 — CID 102050579

IUPAC1-pyrazin-2-ylethyl acetate
SMILESCC(=O)OC(C)c1cnccn1
InChIInChI=1S/C8H10N2O2/c1-6(12-7(2)11)8-5-9-3-4-10-8/h3-6H,1-2H3
InChIKeyPOPBZOYLWSCAJP-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.10
Rot. Bonds2

About 1-pyrazin-2-ylethyl acetate

1-pyrazin-2-ylethyl acetate (PubChem CID 102050579) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-pyrazin-2-ylethyl acetate.

Molecular Properties

Compound Name1-pyrazin-2-ylethyl acetate
PubChem CID102050579
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-pyrazin-2-ylethyl acetate
SMILESCC(=O)OC(C)c1cnccn1
InChIInChI=1S/C8H10N2O2/c1-6(12-7(2)11)8-5-9-3-4-10-8/h3-6H,1-2H3
InChIKeyPOPBZOYLWSCAJP-UHFFFAOYSA-N
XLogP1.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylethyl acetate?
The IUPAC name of 1-pyrazin-2-ylethyl acetate (CID 102050579) is 1-pyrazin-2-ylethyl acetate.
What is the SMILES notation for 1-pyrazin-2-ylethyl acetate?
The canonical SMILES for 1-pyrazin-2-ylethyl acetate is CC(=O)OC(C)c1cnccn1.
What is the InChIKey of 1-pyrazin-2-ylethyl acetate?
The InChIKey is POPBZOYLWSCAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(12-7(2)11)8-5-9-3-4-10-8/h3-6H,1-2H3.
What are the key properties of 1-pyrazin-2-ylethyl acetate?
1-pyrazin-2-ylethyl acetate has a molecular weight of 166.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylethyl acetate is sourced from PubChem (CID 102050579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).