6428802
 OpenBabel05082101102D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.7320    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888   -0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888    0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933    1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933   -1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817   -1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  8  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  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  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>
6428802

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
131

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAYAAAAAsAAAAAAAAAFgBgAAAHAAAAAAACAiBFgACgBIIEACgAQRgRAAAgCQhECAAGAAwUAgAYEJAkACUAAAggADISAIQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_CAS_NAME>
2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,3-dimethyl-6,7-dihydro-5<I>H</I>-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_NAME>
2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H12N2/c1-6-7(2)11-9-5-3-4-8(9)10-6/h3-5H2,1-2H3

>  <PUBCHEM_IUPAC_INCHIKEY>
AIKNQWWUQFXNAZ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.3

>  <PUBCHEM_EXACT_MASS>
148.100048

>  <PUBCHEM_MOLECULAR_FORMULA>
C9H12N2

>  <PUBCHEM_MOLECULAR_WEIGHT>
148.2

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(N=C2CCCC2=N1)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(N=C2CCCC2=N1)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>
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  6  8
1  8  8
2  7  8
2  9  8
6  7  8
8  9  8

$$$$
