70680309
  -OEChem-04262411502D

 28 28  0     0  0  0  0  0  0999 V2000
    4.8671    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3180    8.2400    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  2  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
 14 16  2  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  CHG  1  28   1
M  END
> <PUBCHEM_COMPOUND_CID>
70680309

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
237

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHAAYAAAACAiBEgAx8JJIEACiACZiZACCgCkhEiAImCAwdJiIYOLAkZGUIAhgkALIyCcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
hydron;3-phenylazopyridine-2,6-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
hydron;3-phenyldiazenylpyridine-2,6-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
hydron;3-phenyldiazenylpyridine-2,6-diamine

> <PUBCHEM_IUPAC_NAME>
hydron;3-phenyldiazenylpyridine-2,6-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
hydron;3-phenyldiazenylpyridine-2,6-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6-amino-3-phenylazo-2-pyridyl)amine;hydron

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
QPFYXYFORQJZEC-UHFFFAOYSA-O

> <PUBCHEM_EXACT_MASS>
214.10927040

> <PUBCHEM_MOLECULAR_FORMULA>
C11H12N5+

> <PUBCHEM_MOLECULAR_WEIGHT>
214.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
[H+].C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
[H+].C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N

> <PUBCHEM_CACTVS_TPSA>
89.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
214.10927040

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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

> <PUBCHEM_BONDANNOTATIONS>
1  10  8
1  7  8
11  12  8
11  13  8
12  14  8
13  15  8
14  16  8
15  16  8
6  7  8
6  8  8
8  9  8
9  10  8

$$$$