69571957
  -OEChem-05052407452D

 23 23  0     1  0  0  0  0  0999 V2000
    5.3314    1.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064   -0.8784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974   -1.8294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.9295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -0.5693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -1.2385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    1.2094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -0.2906    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3884   -0.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974   -1.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    0.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7498   -0.0091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0618   -2.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.1378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -2.0135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -2.0593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    0.6551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288   -0.0802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    1.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6004    0.8994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  8  1  0  0  0  0
  2 11  2  0  0  0  0
  3  9  2  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  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
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69571957

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
292

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjoAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHgAYAAAACCjBgAQDAAJAAAAqAAMxNAAAAAEAAAAAAAG4AAAAQAgAQAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(dimethylaminoazo)-4H-imidazole-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-(dimethylaminoazo)-4H-imidazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(dimethylaminodiazenyl)-4<I>H</I>-imidazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-(dimethylaminodiazenyl)-4H-imidazole-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(dimethylaminodiazenyl)-4H-imidazole-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(dimethylaminoazo)-4H-imidazole-4-carboxamide

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

> <PUBCHEM_IUPAC_INCHIKEY>
WWBNCVBOGOHKBQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
182.09160896

> <PUBCHEM_MOLECULAR_FORMULA>
C6H10N6O

> <PUBCHEM_MOLECULAR_WEIGHT>
182.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)N=NC1=NC=NC1C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)N=NC1=NC=NC1C(=O)N

> <PUBCHEM_CACTVS_TPSA>
95.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.09160896

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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

> <PUBCHEM_BONDANNOTATIONS>
8  10  3

$$$$