24838978
  -OEChem-04202402142D

 20 20  0     0  0  0  0  0  0999 V2000
    5.7921    1.3244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4672   -0.7634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8981   -0.4544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1582   -1.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550   -1.1235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2039   -0.8145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5242    1.3244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6582   -0.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492   -0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6582    0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1582   -1.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -1.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839   -1.7300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5226   -2.2160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8985    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.0459   -1.0229    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.8756   -1.9444    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    7.5242    1.9444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0611    1.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  8  2  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  ISO  3  16   2  17   2  18   2
M  END
> <PUBCHEM_COMPOUND_CID>
24838978

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
278

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjoAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHgAYAAAACAgBgAQDAAJiAAAoAQMxNAAAAAEAAAIAIIEgAAAAAAgAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5Z)-5-[(trideuteriomethylamino)hydrazinylidene]imidazole-4-carboxamide

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2,7,11H,1H3,(H2,6,12)/b10-5-/i1D3

> <PUBCHEM_IUPAC_INCHIKEY>
KNZAVOVKKCNCEG-OPGIBKFLSA-N

> <PUBCHEM_XLOGP3_AA>
-0.7

> <PUBCHEM_EXACT_MASS>
171.09478914

> <PUBCHEM_MOLECULAR_FORMULA>
C5H8N6O

> <PUBCHEM_MOLECULAR_WEIGHT>
171.18

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
[2H]C([2H])([2H])NN/N=C\1/C(=NC=N1)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
104

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
171.09478914

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
3

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$