69757122
  -OEChem-05092404392D

 15 15  0     0  0  0  0  0  0999 V2000
    4.2268    1.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9019   -0.8706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929   -1.8217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328   -0.5616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9589    1.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -1.2307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839   -0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5929   -1.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9573   -2.3233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9589    1.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4958    0.9072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7186   -1.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  7  2  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  3  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69757122

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
250

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjoAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHgAYAAAACAgBgAQBAAJCAAAoAQMxNAAAAAEAAAAAAAEgAAAAAAgAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-hydrazinylideneimidazole-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-hydrazinylidene-4-imidazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-hydrazinylideneimidazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-hydrazinylideneimidazole-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-diazanylideneimidazole-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-hydrazonoimidazole-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H5N5O/c5-3(10)2-4(9-6)8-1-7-2/h1H,6H2,(H2,5,10)

> <PUBCHEM_IUPAC_INCHIKEY>
CJWSMGVHUQBQBR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-1.2

> <PUBCHEM_EXACT_MASS>
139.04940980

> <PUBCHEM_MOLECULAR_FORMULA>
C4H5N5O

> <PUBCHEM_MOLECULAR_WEIGHT>
139.12

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC(=NN)C(=N1)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=NC(=NN)C(=N1)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
106

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
139.04940980

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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  8  1

$$$$