22201
  DSViewer          3D                             0

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.1888   -1.3661    0.0003 N   0  0  0  0  0  0  0  0  0  1
    4.1884    1.3663   -0.0005 N   0  0  0  0  0  0  0  0  0  2
    3.0851   -0.7341    0.0004 C   0  0  0  0  0  0  0  0  0  3
    3.0849    0.7340   -0.0001 C   0  0  0  0  0  0  0  0  0  4
    1.7876   -1.4924    0.0009 C   0  0  0  0  0  0  0  0  0  5
    1.7872    1.4918    0.0000 C   0  0  0  0  0  0  0  0  0  6
    5.4015   -0.6660   -0.0001 C   0  0  0  0  0  0  0  0  0  7
    5.4013    0.6664   -0.0005 C   0  0  0  0  0  0  0  0  0  8
    0.9551   -0.7889    0.0009 H   0  0  0  0  0  0  0  0  0  9
    1.7328   -2.1192    0.8910 H   0  0  0  0  0  0  0  0  0 10
    1.7324   -2.1198   -0.8888 H   0  0  0  0  0  0  0  0  0 11
    0.9549    0.7881    0.0004 H   0  0  0  0  0  0  0  0  0 12
    1.7318    2.1187   -0.8900 H   0  0  0  0  0  0  0  0  0 13
    1.7322    2.1192    0.8897 H   0  0  0  0  0  0  0  0  0 14
    6.3455   -1.2109   -0.0002 H   0  0  0  0  0  0  0  0  0 15
    6.3452    1.2116   -0.0009 H   0  0  0  0  0  0  0  0  0 16
  1  3  2  0  0  0
  1  7  1  0  0  0
  2  4  2  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  4  6  1  0  0  0
  5  9  1  0  0  0
  5 10  1  0  0  0
  5 11  1  0  0  0
  6 12  1  0  0  0
  6 13  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
  7 15  1  0  0  0
  8 16  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22201

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
62.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjAAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAAAAAAACAjBFgQugBIIEACgARRnRAAAgCQREiAIWAA4cAAAQEBAAAAUAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3-dimethylpyrazine

> <PUBCHEM_IUPAC_CAS_NAME>
2,3-dimethylpyrazine

> <PUBCHEM_IUPAC_NAME>
2,3-dimethylpyrazine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3-dimethylpyrazine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,3-dimethylpyrazine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
OXQOBQJCDNLAPO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.5

> <PUBCHEM_EXACT_MASS>
108.069

> <PUBCHEM_MOLECULAR_FORMULA>
C6H8N2

> <PUBCHEM_MOLECULAR_WEIGHT>
108.141

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC=CN=C1C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC=CN=C1C

> <PUBCHEM_CACTVS_TPSA>
25.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
108.069

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  3  8
1  7  8
2  4  8
2  8  8
3  4  8
7  8  8

$$$$
