ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate

C11H16N2O3 — CID 145154455

IUPACethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
SMILESCCOC(=O)OCc1nc(C)c(C)nc1C
InChIInChI=1S/C11H16N2O3/c1-5-15-11(14)16-6-10-9(4)12-7(2)8(3)13-10/h5-6H2,1-4H3
InChIKeyQVBDDYKKLYPFAR-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.07
Rot. Bonds3

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

ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate (PubChem CID 145154455) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate.

Molecular Properties

Compound Nameethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
PubChem CID145154455
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
SMILESCCOC(=O)OCc1nc(C)c(C)nc1C
InChIInChI=1S/C11H16N2O3/c1-5-15-11(14)16-6-10-9(4)12-7(2)8(3)13-10/h5-6H2,1-4H3
InChIKeyQVBDDYKKLYPFAR-UHFFFAOYSA-N
XLogP2.07
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methylacetate-3,5,6-trimethylpyrazine
CID 85138582
(3,5,6-Trimethylpyrazin-2-yl)methyl 3-methylbutanoate
CID 71467094
[5-(Acetyloxymethyl)-3,6-dimethylpyrazin-2-yl]methyl acetate
CID 53346217
2,3,5-Trimethyl-6-[(3,5,6-trimethylpyrazin-2-yl)methoxymethoxymethyl]pyrazine
CID 117879067
(3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate
CID 118266794
(1-Chloro-2-methylpropyl) (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550012
1-Chloroethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550013
(1-Chloro-2,2-dimethylpropyl) (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550015
Chloromethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 122550017
2-(1,3-Dioxolan-2-yl)-3,5,6-trimethylpyrazine
CID 122684100
(3,5,6-Trimethylpyrazin-2-yl)methyl 2-methylpropanoate
CID 141222358
(3,5,6-Trimethylpyrazin-2-yl)methyl propanoate
CID 141222359

Frequently Asked Questions

What is the IUPAC name of ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate?
The IUPAC name of ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate (CID 145154455) is ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate.
What is the SMILES notation for ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate?
The canonical SMILES for ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate is CCOC(=O)OCc1nc(C)c(C)nc1C.
What is the InChIKey of ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate?
The InChIKey is QVBDDYKKLYPFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-5-15-11(14)16-6-10-9(4)12-7(2)8(3)13-10/h5-6H2,1-4H3.
What are the key properties of ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate?
ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate has a molecular weight of 224.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate is sourced from PubChem (CID 145154455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).