(3,5,6-trimethylpyrazin-2-yl)methyl acetate

C10H14N2O2 — CID 85138582

IUPAC(3,5,6-trimethylpyrazin-2-yl)methyl acetate
SMILESCC(=O)OCc1nc(C)c(C)nc1C
InChIInChI=1S/C10H14N2O2/c1-6-7(2)12-10(8(3)11-6)5-14-9(4)13/h5H2,1-4H3
InChIKeyANFZDGQJMXVAEI-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.46
Rot. Bonds2

About (3,5,6-trimethylpyrazin-2-yl)methyl acetate

(3,5,6-trimethylpyrazin-2-yl)methyl acetate (PubChem CID 85138582) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3,5,6-trimethylpyrazin-2-yl)methyl acetate.

Molecular Properties

Compound Name(3,5,6-trimethylpyrazin-2-yl)methyl acetate
PubChem CID85138582
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(3,5,6-trimethylpyrazin-2-yl)methyl acetate
SMILESCC(=O)OCc1nc(C)c(C)nc1C
InChIInChI=1S/C10H14N2O2/c1-6-7(2)12-10(8(3)11-6)5-14-9(4)13/h5H2,1-4H3
InChIKeyANFZDGQJMXVAEI-UHFFFAOYSA-N
XLogP1.46
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5,6-trimethylpyrazin-2-yl)methyl acetate?
The IUPAC name of (3,5,6-trimethylpyrazin-2-yl)methyl acetate (CID 85138582) is (3,5,6-trimethylpyrazin-2-yl)methyl acetate.
What is the SMILES notation for (3,5,6-trimethylpyrazin-2-yl)methyl acetate?
The canonical SMILES for (3,5,6-trimethylpyrazin-2-yl)methyl acetate is CC(=O)OCc1nc(C)c(C)nc1C.
What is the InChIKey of (3,5,6-trimethylpyrazin-2-yl)methyl acetate?
The InChIKey is ANFZDGQJMXVAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-7(2)12-10(8(3)11-6)5-14-9(4)13/h5H2,1-4H3.
What are the key properties of (3,5,6-trimethylpyrazin-2-yl)methyl acetate?
(3,5,6-trimethylpyrazin-2-yl)methyl acetate has a molecular weight of 194.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5,6-trimethylpyrazin-2-yl)methyl acetate is sourced from PubChem (CID 85138582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).