(6-methylpyrazin-2-yl)methyl acetate

C8H10N2O2 — CID 13123637

IUPAC(6-methylpyrazin-2-yl)methyl acetate
SMILESCC(=O)OCc1cncc(C)n1
InChIInChI=1S/C8H10N2O2/c1-6-3-9-4-8(10-6)5-12-7(2)11/h3-4H,5H2,1-2H3
InChIKeyHWMSEKNMBIGOAM-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.85
Rot. Bonds2

About (6-methylpyrazin-2-yl)methyl acetate

(6-methylpyrazin-2-yl)methyl acetate (PubChem CID 13123637) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (6-methylpyrazin-2-yl)methyl acetate.

Molecular Properties

Compound Name(6-methylpyrazin-2-yl)methyl acetate
PubChem CID13123637
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(6-methylpyrazin-2-yl)methyl acetate
SMILESCC(=O)OCc1cncc(C)n1
InChIInChI=1S/C8H10N2O2/c1-6-3-9-4-8(10-6)5-12-7(2)11/h3-4H,5H2,1-2H3
InChIKeyHWMSEKNMBIGOAM-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methylpyrazin-2-yl)methyl acetate?
The IUPAC name of (6-methylpyrazin-2-yl)methyl acetate (CID 13123637) is (6-methylpyrazin-2-yl)methyl acetate.
What is the SMILES notation for (6-methylpyrazin-2-yl)methyl acetate?
The canonical SMILES for (6-methylpyrazin-2-yl)methyl acetate is CC(=O)OCc1cncc(C)n1.
What is the InChIKey of (6-methylpyrazin-2-yl)methyl acetate?
The InChIKey is HWMSEKNMBIGOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-3-9-4-8(10-6)5-12-7(2)11/h3-4H,5H2,1-2H3.
What are the key properties of (6-methylpyrazin-2-yl)methyl acetate?
(6-methylpyrazin-2-yl)methyl acetate has a molecular weight of 166.18 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpyrazin-2-yl)methyl acetate is sourced from PubChem (CID 13123637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).