chempirical

2-sec-Butyl-3-methoxypyrazine

C9H14N2OCAS 24168-70-5166.22 g/mol

Open in Covalent MOL file
NNO
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
24168-70-5
SMILES
CCC(C)c1nccnc1OC
InChIKey
QMQDJVIJVPEQHE-UHFFFAOYSA-N
InChI
InChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • Pyrazine, 2-methoxy-3-(1-methylpropyl)-
  • Pyrazine, 2-sec-butyl-3-methoxy-
  • 2-Methoxy-3-(1-methylpropyl)pyrazine
  • 2-s-Butyl-3-methoxypyrazine
  • 3-sec-Butyl-2-methoxypyrazine
  • 2-Methoxy-3-sec-butylpyrazine
  • 2-Butan-2-yl-3-methoxypyrazine
  • 2-(Butan-2-yl)-3-methoxypyrazine

Work with 2-sec-Butyl-3-methoxypyrazine

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 methoxypyrazine25773-40-459 % similar 2-Ethyl-3-methoxypyrazine25680-58-446 % similar 2-Methoxy-3-methylpyrazine2847-30-542 % similar 2-sec-Butylthiazole18277-27-539 % similar 5-Methyl-6,7-dihydro-5H-cyclopentapyrazine23747-48-039 % similar 3-Bromo-2-methoxypyridine13472-59-834 % similar 2-Methoxy-3-pyridinamine20265-38-734 % similar 2-Methoxy-3-pyridinemethanol112197-16-734 % similar

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

Same formula

3-Isobutyl-2-methoxypyrazine24683-00-9 4-Propoxy-1,2-benzenediamine56190-17-1 2-Ethoxy-3-isopropylpyrazine72797-16-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook