chempirical

2-Ethoxy-3-isopropylpyrazine

C9H14N2OCAS 72797-16-1166.22 g/mol

Open in Covalent MOL file
ONN
Ether

Properties

Molecular formula
C9H14N2O
Molar mass
166.22 g/mol
Exact mass
166.1106 Da
logP
2.00Crippen estimate
Polar surface area
35.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
72797-16-1
SMILES
CCOc1nccnc1C(C)C
InChIKey
LTAUBPVQMBOANV-UHFFFAOYSA-N
InChI
InChI=1S/C9H14N2O/c1-4-12-9-8(7(2)3)10-5-6-11-9/h5-7H,4H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Pyrazine, 2-ethoxy-3-(1-methylethyl)-
  • 2-Ethoxy-3-(1-methylethyl)pyrazine
  • 2-Ethoxy-3-(propan-2-yl)pyrazine

Work with 2-Ethoxy-3-isopropylpyrazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isopropyl methoxypyrazine25773-40-458 % similar 2-Ethoxy-3-methylpyrazine32737-14-755 % similar 2-Ethoxypyrazine38028-67-040 % similar 2-Ethoxythiazole15679-19-337 % similar 2-Ethoxypyridine14529-53-436 % similar 5-Ethoxy-4-methyloxazole5006-20-234 % similar 5-Methyl-6,7-dihydro-5H-cyclopentapyrazine23747-48-033 % similar 4,6-Dichloro-2-ethoxypyrimidine40758-65-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-sec-Butyl-3-methoxypyrazine24168-70-5 3-Isobutyl-2-methoxypyrazine24683-00-9 4-Propoxy-1,2-benzenediamine56190-17-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook