55289174
  -OEChem-05102421242D

 15 15  0     0  0  0  0  0  0999 V2000
    3.6916    1.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -0.8784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0576   -1.8294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976   -0.5693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4237    1.2094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    0.4088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576   -0.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486   -0.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0576   -1.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4221   -2.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4237    1.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9606    0.8994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0504    0.8237    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  0  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>
55289174

> <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>
(5E)-5-hydrazinylideneimidazole-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(5E)-5-hydrazinylidene-4-imidazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>E</I>)-5-hydrazinylideneimidazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
(5E)-5-hydrazinylideneimidazole-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5E)-5-diazanylideneimidazole-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5E)-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)/b9-4+

> <PUBCHEM_IUPAC_INCHIKEY>
CJWSMGVHUQBQBR-RUDMXATFSA-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=N/C(=N/N)/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>
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

$$$$