5526432
  -OEChem-04232418092D

 25 25  0     1  0  0  0  0  0999 V2000
    5.7472    1.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.7178    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6453    0.4088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.0487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532   -0.5693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1132   -1.8294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4223   -0.8784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4793    1.2094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -0.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863    1.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6132   -0.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6132    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1132   -1.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    0.8237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800   -0.5578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0927    1.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3574    2.3024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798    1.5671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916    0.9474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.5493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -0.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4777   -2.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4793    1.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0162    0.8994    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  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4 12  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  6 14  2  0  0  0  0
  7 11  2  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5526432

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
318

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjoAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHgAYAAAACAgBgAQDAAJiAAAoAQMxNAAAAAEAAAAAIIEgAAAAAAgAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5E)-5-[[methyl(methylamino)amino]hydrazono]imidazole-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(5E)-5-[[methyl(methylamino)amino]hydrazinylidene]-4-imidazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>E</I>)-5-[[methyl(methylamino)amino]hydrazinylidene]imidazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
(5E)-5-[[methyl(methylamino)amino]hydrazinylidene]imidazole-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5E)-5-[[methyl(methylamino)amino]hydrazinylidene]imidazole-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5E)-5-[[methyl(methylamino)amino]hydrazono]imidazole-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H11N7O/c1-8-13(2)12-11-6-4(5(7)14)9-3-10-6/h3,8,12H,1-2H3,(H2,7,14)/b11-6+

> <PUBCHEM_IUPAC_INCHIKEY>
CHJMXCWMQDCOMH-IZZDOVSWSA-N

> <PUBCHEM_XLOGP3_AA>
-0.5

> <PUBCHEM_EXACT_MASS>
197.10250800

> <PUBCHEM_MOLECULAR_FORMULA>
C6H11N7O

> <PUBCHEM_MOLECULAR_WEIGHT>
197.20

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNN(C)N/N=C/1\C(=NC=N1)C(=O)N

> <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>
1

> <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

$$$$