25915
  DSViewer          3D                             0

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.8524   -1.3368   -0.0003 N   0  0  0  0  0  0  0  0  0  1
    4.8249    1.3951    0.0003 N   0  0  0  0  0  0  0  0  0  2
    2.4511   -1.4912    0.0001 C   0  0  0  0  0  0  0  0  0  3
    3.7423   -0.7161    0.0001 C   0  0  0  0  0  0  0  0  0  4
    1.2496   -0.5251    0.0006 C   0  0  0  0  0  0  0  0  0  5
    3.7284    0.7512    0.0004 C   0  0  0  0  0  0  0  0  0  6
    6.0443    0.7075   -0.0001 C   0  0  0  0  0  0  0  0  0  7
    6.0577   -0.6247   -0.0004 C   0  0  0  0  0  0  0  0  0  8
    7.3363    1.4711   -0.0002 C   0  0  0  0  0  0  0  0  0  9
    2.4080   -2.1186   -0.8901 H   0  0  0  0  0  0  0  0  0 10
    2.4084   -2.1190    0.8902 H   0  0  0  0  0  0  0  0  0 11
    0.3222   -1.0977    0.0007 H   0  0  0  0  0  0  0  0  0 12
    1.2878    0.1035   -0.8891 H   0  0  0  0  0  0  0  0  0 13
    1.2882    0.1031    0.8906 H   0  0  0  0  0  0  0  0  0 14
    2.7799    1.2883    0.0007 H   0  0  0  0  0  0  0  0  0 15
    7.0071   -1.1602   -0.0007 H   0  0  0  0  0  0  0  0  0 16
    8.1723    0.7718   -0.0005 H   0  0  0  0  0  0  0  0  0 17
    7.3884    2.0983    0.8898 H   0  0  0  0  0  0  0  0  0 18
    7.3880    2.0987   -0.8900 H   0  0  0  0  0  0  0  0  0 19
  1  4  2  0  0  0
  1  8  1  0  0  0
  2  6  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 10  1  0  0  0
  3 11  1  0  0  0
  4  6  1  0  0  0
  5 12  1  0  0  0
  5 13  1  0  0  0
  5 14  1  0  0  0
  6 15  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 16  1  0  0  0
  9 17  1  0  0  0
  9 18  1  0  0  0
  9 19  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25915

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
83

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjAAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAAAAAAACAjBFgQugBIIEACgARRnRAAAgCQxEiAAUAA4cAgAYEBAgQAUAAAAAADAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-ethyl-5-methyl-pyrazine

> <PUBCHEM_IUPAC_CAS_NAME>
2-ethyl-5-methylpyrazine

> <PUBCHEM_IUPAC_NAME>
2-ethyl-5-methylpyrazine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-ethyl-5-methyl-pyrazine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-ethyl-5-methyl-pyrazine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
OXCKCFJIKRGXMM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
122.084

> <PUBCHEM_MOLECULAR_FORMULA>
C7H10N2

> <PUBCHEM_MOLECULAR_WEIGHT>
122.168

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=NC=C(N=C1)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=NC=C(N=C1)C

> <PUBCHEM_CACTVS_TPSA>
25.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
122.084

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  4  8
1  8  8
2  6  8
2  7  8
4  6  8
7  8  8

$$$$
