(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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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).