Ketcher 05112213522D 1   1.00000     0.00000     0

  9  9  0     0  0            999 V2000
   11.7076   -7.7469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7076   -5.7469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5736   -7.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5736   -6.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8415   -7.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4396   -7.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4396   -5.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8415   -6.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9755   -7.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0     0  0
  1  5  1  0     0  0
  2  4  2  0     0  0
  2  8  1  0     0  0
  3  4  1  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  5  8  2  0     0  0
  5  9  1  0     0  0
M  END
> <ID>
CHEBI:190131

> <NAME>
trimethylpyrazine

> <DEFINITION>
A member of the class of pyrazines that is pyrazine in which three hydrogens at positions 2, 3 and 5 have been replaced by methyl groups.

> <STAR>
3

> <SYNONYM>
FEMA 3244; 2,3,6-trimethylpyrazine; 2,3,5-trimethyl pyrazine

> <IUPAC_NAME>
2,3,5-trimethylpyrazine

> <FORMULA>
C7H10N2

> <MASS>
122.171

> <MONOISOTOPIC_MASS>
122.08440

> <CHARGE>
0

> <SMILES>
CC1=CN=C(C)C(C)=N1

> <INCHI>
InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3

> <INCHIKEY>
IAEGWXHKWJGQAZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
14667-55-1

> <REAXYS_REGISTRY_NUMBER>
2423

> <CHEMIDPLUS>
14667-55-1

> <KNAPSACK_ACCESSION>
C00053868

> <NIST_CHEMISTRY_WEBBOOK>
14667-55-1

> <WIKIPEDIA_ACCESSION>
2,3,5-Trimethylpyrazine

> <AGRICOLA_CITATION>
IND607193238

> <PUBMED_CENTRAL_CITATION>
PMC9075160

> <PUBMED_CITATION>
24486684; 31390142; 31585995; 33572908; 33671408; 33740424; 34033768; 34047404; 34778213; 34825167; 34827734

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