530404
 OpenBabel05082101102D

 23 24  0  0  1  0  0  0  0  0999 V2000
    3.7320    0.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.4271    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1279   -0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068    0.8665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888   -0.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888    0.0371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933   -1.7493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817   -1.4916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443    1.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0476    1.9670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    1.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.4324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.9146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2  7  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
530404

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
147

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAYAAAAAsAAAAAAAAAFgBgAAAHAAAAAAADQjBFgQugBIIEACgARRnRAAAgCQxEiAAWAA4cAgAYEJAkQCUAAAggADISAMQAAAOAAAAAAAAAAAAAAAAAAAAACAAAQAQAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
3,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_CAS_NAME>
3,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_NAME_MARKUP>
3,7-dimethyl-6,7-dihydro-5<I>H</I>-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_NAME>
3,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H12N2/c1-6-3-4-8-9(6)10-5-7(2)11-8/h5-6H,3-4H2,1-2H3

>  <PUBCHEM_IUPAC_INCHIKEY>
CTFGVWCFSGCLHZ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.2

>  <PUBCHEM_EXACT_MASS>
148.100048

>  <PUBCHEM_MOLECULAR_FORMULA>
C9H12N2

>  <PUBCHEM_MOLECULAR_WEIGHT>
148.2

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2=NC(=CN=C12)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC2=NC(=CN=C12)C

>  <PUBCHEM_CACTVS_TPSA>
25.8

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
148.100048

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

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

$$$$
