23377482
 OpenBabel05082101102D

 18 19  0  0  1  0  0  0  0  0999 V2000
    2.8660    0.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4271    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2908    0.5233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -0.3776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783    1.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815    1.9670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    1.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -1.7717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  9  1  0  0  0  0
  2  6  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
23377482

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
153

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAQAAAAAsAAAAAAAAAEABgAAAHAAAAAAADQjBFgQugBIIEACgATRnRACCgCQxEiAI2AA4cBgIYELAgQAUAAAggADIyAYAAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
5-methyl-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_CAS_NAME>
5-methyl-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_NAME_MARKUP>
5-methyl-5<I>H</I>-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_NAME>
5-methyl-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-methyl-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-methyl-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H8N2/c1-6-2-3-7-8(6)10-5-4-9-7/h2-6H,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
WWUFRIQCZCLXPV-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1

>  <PUBCHEM_EXACT_MASS>
132.068748

>  <PUBCHEM_MOLECULAR_FORMULA>
C8H8N2

>  <PUBCHEM_MOLECULAR_WEIGHT>
132.16

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C=CC2=NC=CN=C12

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C=CC2=NC=CN=C12

>  <PUBCHEM_CACTVS_TPSA>
25.8

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
132.068748

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
10

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

>  <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  4  8
1  9  8
2  10  8
2  6  8
3  7  3
4  6  8
9  10  8

$$$$
