5469189
  -OEChem-05052407242D

 22 22  0     1  0  0  0  0  0999 V2000
    5.9210    1.3972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328   -0.7416    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.2839   -1.0507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0270   -0.3815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871   -1.6416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961   -0.6906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -1.4108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6531    1.3972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781   -0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871   -0.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871    0.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2871   -1.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4128   -1.6571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7313    0.3654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960    0.8429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5184    0.1076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6515   -2.1432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7186   -2.0172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6531    2.0172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1900    1.0872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  9  2  0  0  0  0
  5  9  1  0  0  0  0
  5 13  2  0  0  0  0
  6 10  2  0  0  0  0
  6 13  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5469189

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
304

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjoAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHgAYAAAACAgBgAQDAAJCAAAoAQMxNAAAAAEAAAAAIAEgAAAAAAgAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5Z)-5-[[azanyl(methyl)amino]hydrazinylidene]imidazole-4-carboxamide

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H9N7O/c1-12(7)11-10-5-3(4(6)13)8-2-9-5/h2,11H,7H2,1H3,(H2,6,13)/b10-5-

> <PUBCHEM_IUPAC_INCHIKEY>
PUEWRBAVTVQGEI-YHYXMXQVSA-N

> <PUBCHEM_XLOGP3_AA>
-1

> <PUBCHEM_EXACT_MASS>
183.08685794

> <PUBCHEM_MOLECULAR_FORMULA>
C5H9N7O

> <PUBCHEM_MOLECULAR_WEIGHT>
183.17

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

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

> <PUBCHEM_CACTVS_TPSA>
122

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
183.08685794

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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

$$$$