6820738
  -OEChem-05042423482D

 25 25  0     0  0  0  0  0  0999 V2000
    5.3314    0.8722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -1.5757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -0.9066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064   -1.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974   -2.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    0.8722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    1.8722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884   -1.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -0.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352   -0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8231   -2.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.4751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -2.3507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -2.3966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -0.1597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    0.3179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288   -0.4175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0618   -2.6683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6004    0.5622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6004    2.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5265    2.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  9  2  3  0  0  0
  5 10  2  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6820738

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
316

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjoAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHgAYAAAACAgBgAQDAAJiAAAoAQMxNAAAAAEAAAISIAEoAAAAAAgAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(dimethylaminohydrazono)imidazole-4-carbohydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
5-(dimethylaminohydrazinylidene)-4-imidazolecarbohydrazide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(dimethylaminohydrazinylidene)imidazole-4-carbohydrazide

> <PUBCHEM_IUPAC_NAME>
5-(dimethylaminohydrazinylidene)imidazole-4-carbohydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(dimethylaminohydrazinylidene)imidazole-4-carbohydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(dimethylaminohydrazono)imidazole-4-carbohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H11N7O/c1-13(2)12-11-5-4(6(14)10-7)8-3-9-5/h3,12H,7H2,1-2H3,(H,10,14)

> <PUBCHEM_IUPAC_INCHIKEY>
FJEDEMUEXZLQJS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.6

> <PUBCHEM_EXACT_MASS>
197.10250800

> <PUBCHEM_MOLECULAR_FORMULA>
C6H11N7O

> <PUBCHEM_MOLECULAR_WEIGHT>
197.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)NN=C1C(=NC=N1)C(=O)NN

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)NN=C1C(=NC=N1)C(=O)NN

> <PUBCHEM_CACTVS_TPSA>
108

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
197.10250800

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
4  9  1

$$$$