5493006
  -OEChem-05082400522D

 25 24  0     0  0  0  0  0  0999 V2000
    2.2630    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2569    6.0404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2039    5.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1550    5.2398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3629    4.2617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    3.0016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9319    3.9526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9890    6.0404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3139    3.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229    4.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4608    4.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9960    6.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229    5.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6229    3.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6157    5.6547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0459    5.3404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756    4.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6024    6.6559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8671    7.1334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895    6.3981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9874    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9890    6.6604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5259    5.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2630    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  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 10  2  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5493006

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
302

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjoAAEAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHgAYAAAACAgBgAQDAAJCAAAoAQMxNAAAAAEAAAAAIAEoAAAAAAgAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5E)-5-(dimethylaminohydrazono)imidazole-4-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
(5E)-5-(dimethylaminohydrazinylidene)-4-imidazolecarboxamide;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>E</I>)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_NAME>
(5E)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5E)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5E)-5-(dimethylaminohydrazono)imidazole-4-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H10N6O.ClH/c1-12(2)11-10-6-4(5(7)13)8-3-9-6;/h3,11H,1-2H3,(H2,7,13);1H/b10-6+;

> <PUBCHEM_IUPAC_INCHIKEY>
HNNMOGQRQFPYBM-AAGWESIMSA-N

> <PUBCHEM_XLOGP3_AA>
0.798

> <PUBCHEM_EXACT_MASS>
218.0682867

> <PUBCHEM_MOLECULAR_FORMULA>
C6H11ClN6O

> <PUBCHEM_MOLECULAR_WEIGHT>
218.64

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

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

> <PUBCHEM_CACTVS_TPSA>
95.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
218.0682867

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$