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

C10H12N2O4 — CID 12573671

IUPAC[5-(acetyloxymethyl)pyrazin-2-yl]methyl acetate
SMILESCC(=O)OCc1cnc(COC(C)=O)cn1
InChIInChI=1S/C10H12N2O4/c1-7(13)15-5-9-3-12-10(4-11-9)6-16-8(2)14/h3-4H,5-6H2,1-2H3
InChIKeyCEEXSGVVKSWLNB-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.60
Rot. Bonds4

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

[5-(acetyloxymethyl)pyrazin-2-yl]methyl acetate (PubChem CID 12573671) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is [5-(acetyloxymethyl)pyrazin-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-(acetyloxymethyl)pyrazin-2-yl]methyl acetate
PubChem CID12573671
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name[5-(acetyloxymethyl)pyrazin-2-yl]methyl acetate
SMILESCC(=O)OCc1cnc(COC(C)=O)cn1
InChIInChI=1S/C10H12N2O4/c1-7(13)15-5-9-3-12-10(4-11-9)6-16-8(2)14/h3-4H,5-6H2,1-2H3
InChIKeyCEEXSGVVKSWLNB-UHFFFAOYSA-N
XLogP0.60
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-(3,5 or 6)-methylpyrazine
CID 113204
Pyrazine, 2-methoxymethyl-5-methyl-, 4-oxide
CID 3068148
Propyl pyrazinoate
CID 72507
Pyrazinecarboxylic acid, 2-(dimethylamino)ethyl ester
CID 122708
Prop-2-en-1-yl pyrazine-2-carboxylate
CID 122711
2-Pyrazinecarboxylic acid, 5-methyl-, methyl ester
CID 465065
Ethyl pyrazinecarboxylate
CID 81341
2-Methylpropyl pyrazine-2-carboxylate
CID 465056
Propyl 5-methylpyrazine-2-carboxylate
CID 465066
Pyrazine, 2-(ethoxymethyl)-5-methyl-, 4-oxide
CID 3068149
Dimethyl pyrazine-2,5-dicarboxylate
CID 518685
Pyrazine, 2-ethoxymethyl-
CID 103404

Frequently Asked Questions

What is the IUPAC name of [5-(acetyloxymethyl)pyrazin-2-yl]methyl acetate?
The IUPAC name of [5-(acetyloxymethyl)pyrazin-2-yl]methyl acetate (CID 12573671) is [5-(acetyloxymethyl)pyrazin-2-yl]methyl acetate.
What is the SMILES notation for [5-(acetyloxymethyl)pyrazin-2-yl]methyl acetate?
The canonical SMILES for [5-(acetyloxymethyl)pyrazin-2-yl]methyl acetate is CC(=O)OCc1cnc(COC(C)=O)cn1.
What is the InChIKey of [5-(acetyloxymethyl)pyrazin-2-yl]methyl acetate?
The InChIKey is CEEXSGVVKSWLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-7(13)15-5-9-3-12-10(4-11-9)6-16-8(2)14/h3-4H,5-6H2,1-2H3.
What are the key properties of [5-(acetyloxymethyl)pyrazin-2-yl]methyl acetate?
[5-(acetyloxymethyl)pyrazin-2-yl]methyl acetate has a molecular weight of 224.22 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(acetyloxymethyl)pyrazin-2-yl]methyl acetate is sourced from PubChem (CID 12573671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).