[5-(hydroxymethyl)pyrazin-2-yl]methyl acetate

C8H10N2O3 — CID 59478480

IUPAC[5-(hydroxymethyl)pyrazin-2-yl]methyl acetate
SMILESCC(=O)OCc1cnc(CO)cn1
InChIInChI=1S/C8H10N2O3/c1-6(12)13-5-8-3-9-7(4-11)2-10-8/h2-3,11H,4-5H2,1H3
InChIKeyYGPJRZGUZBSYCT-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.03
Rot. Bonds3

About [5-(hydroxymethyl)pyrazin-2-yl]methyl acetate

[5-(hydroxymethyl)pyrazin-2-yl]methyl acetate (PubChem CID 59478480) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is [5-(hydroxymethyl)pyrazin-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-(hydroxymethyl)pyrazin-2-yl]methyl acetate
PubChem CID59478480
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name[5-(hydroxymethyl)pyrazin-2-yl]methyl acetate
SMILESCC(=O)OCc1cnc(CO)cn1
InChIInChI=1S/C8H10N2O3/c1-6(12)13-5-8-3-9-7(4-11)2-10-8/h2-3,11H,4-5H2,1H3
InChIKeyYGPJRZGUZBSYCT-UHFFFAOYSA-N
XLogP0.03
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)pyrazin-2-yl]methyl acetate?
The IUPAC name of [5-(hydroxymethyl)pyrazin-2-yl]methyl acetate (CID 59478480) is [5-(hydroxymethyl)pyrazin-2-yl]methyl acetate.
What is the SMILES notation for [5-(hydroxymethyl)pyrazin-2-yl]methyl acetate?
The canonical SMILES for [5-(hydroxymethyl)pyrazin-2-yl]methyl acetate is CC(=O)OCc1cnc(CO)cn1.
What is the InChIKey of [5-(hydroxymethyl)pyrazin-2-yl]methyl acetate?
The InChIKey is YGPJRZGUZBSYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-6(12)13-5-8-3-9-7(4-11)2-10-8/h2-3,11H,4-5H2,1H3.
What are the key properties of [5-(hydroxymethyl)pyrazin-2-yl]methyl acetate?
[5-(hydroxymethyl)pyrazin-2-yl]methyl acetate has a molecular weight of 182.18 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)pyrazin-2-yl]methyl acetate is sourced from PubChem (CID 59478480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).