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

C12H19N3O2 — CID 118266794

IUPAC(3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OCc1nc(C)c(C)nc1C
InChIInChI=1S/C12H19N3O2/c1-6-15(5)12(16)17-7-11-10(4)13-8(2)9(3)14-11/h6-7H2,1-5H3
InChIKeyWEEQLTXJOQXEJF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds3

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

(3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate (PubChem CID 118266794) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name(3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate
PubChem CID118266794
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OCc1nc(C)c(C)nc1C
InChIInChI=1S/C12H19N3O2/c1-6-15(5)12(16)17-7-11-10(4)13-8(2)9(3)14-11/h6-7H2,1-5H3
InChIKeyWEEQLTXJOQXEJF-UHFFFAOYSA-N
XLogP1.99
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylacetate-3,5,6-trimethylpyrazine
CID 85138582
[5-(Acetyloxymethyl)-3,6-dimethylpyrazin-2-yl]methyl acetate
CID 53346217
[5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate
CID 118266848
[3,6-dimethyl-5-[[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate
CID 118266852
[3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate
CID 118266853
[3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate
CID 118266854
N-tert-butyl-1-[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methanimine oxide
CID 134402813
(Z)-tert-butyl-[[5-[[ethyl(methyl)carbamoyl]oxymethyl]-3,6-dimethylpyrazin-2-yl]methylidene]-hydroxyazanium
CID 136953070
(3,5,6-Trimethylpyrazin-2-yl)methyl propanoate
CID 141222359
(3,5,6-Trimethylpyrazin-2-yl)methyl butanoate
CID 141222364
2,5-Bis(ethoxymethyl)-3,6-dimethylpyrazine
CID 141337777
Ethyl (3,5,6-trimethylpyrazin-2-yl)methyl carbonate
CID 145154455

Frequently Asked Questions

What is the IUPAC name of (3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate?
The IUPAC name of (3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate (CID 118266794) is (3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate.
What is the SMILES notation for (3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate?
The canonical SMILES for (3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate is CCN(C)C(=O)OCc1nc(C)c(C)nc1C.
What is the InChIKey of (3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate?
The InChIKey is WEEQLTXJOQXEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-6-15(5)12(16)17-7-11-10(4)13-8(2)9(3)14-11/h6-7H2,1-5H3.
What are the key properties of (3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate?
(3,5,6-trimethylpyrazin-2-yl)methyl N-ethyl-N-methylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 1.99, 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 N-ethyl-N-methylcarbamate is sourced from PubChem (CID 118266794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).