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

C11H16N2O2 — CID 141222359

IUPAC(3,5,6-trimethylpyrazin-2-yl)methyl propanoate
SMILESCCC(=O)OCc1nc(C)c(C)nc1C
InChIInChI=1S/C11H16N2O2/c1-5-11(14)15-6-10-9(4)12-7(2)8(3)13-10/h5-6H2,1-4H3
InChIKeyBLHRKINRDDJFCT-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.86
Rot. Bonds3

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

(3,5,6-trimethylpyrazin-2-yl)methyl propanoate (PubChem CID 141222359) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3,5,6-trimethylpyrazin-2-yl)methyl propanoate.

Molecular Properties

Compound Name(3,5,6-trimethylpyrazin-2-yl)methyl propanoate
PubChem CID141222359
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3,5,6-trimethylpyrazin-2-yl)methyl propanoate
SMILESCCC(=O)OCc1nc(C)c(C)nc1C
InChIInChI=1S/C11H16N2O2/c1-5-11(14)15-6-10-9(4)12-7(2)8(3)13-10/h5-6H2,1-4H3
InChIKeyBLHRKINRDDJFCT-UHFFFAOYSA-N
XLogP1.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.86
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 propanoate?
The IUPAC name of (3,5,6-trimethylpyrazin-2-yl)methyl propanoate (CID 141222359) is (3,5,6-trimethylpyrazin-2-yl)methyl propanoate.
What is the SMILES notation for (3,5,6-trimethylpyrazin-2-yl)methyl propanoate?
The canonical SMILES for (3,5,6-trimethylpyrazin-2-yl)methyl propanoate is CCC(=O)OCc1nc(C)c(C)nc1C.
What is the InChIKey of (3,5,6-trimethylpyrazin-2-yl)methyl propanoate?
The InChIKey is BLHRKINRDDJFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-5-11(14)15-6-10-9(4)12-7(2)8(3)13-10/h5-6H2,1-4H3.
What are the key properties of (3,5,6-trimethylpyrazin-2-yl)methyl propanoate?
(3,5,6-trimethylpyrazin-2-yl)methyl propanoate has a molecular weight of 208.26 g/mol, XLogP of 1.86, 3 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 propanoate is sourced from PubChem (CID 141222359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).