9582581
  -OEChem-04242400562D

 27 28  0     0  0  0  0  0  0999 V2000
    8.0622    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042    0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842    1.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 14  2  0  0  0  0
  7 12  1  0  0  0  0
  7 17  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9582581

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
386

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzoAAAAAAAAAAAAAAAAAAAAAAAAAAsQAAAAAAAAAABgAAAHgAYAAAACAjBlgQ/gJJqEACoATV3dACSgCExAiAM2CE4ZJgIIOLAkZGEIAhwiADIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-methyl-3-[(2E)-2-(2-pyridylmethylene)hydrazino]-2H-1,2,4-triazin-5-one

> <PUBCHEM_IUPAC_CAS_NAME>
6-methyl-3-[(2E)-2-(2-pyridinylmethylidene)hydrazinyl]-2H-1,2,4-triazin-5-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-methyl-3-[(2<I>E</I>)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2<I>H</I>-1,2,4-triazin-5-one

> <PUBCHEM_IUPAC_NAME>
6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-5-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methyl-3-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-5-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-methyl-3-[(N'E)-N'-(2-pyridylmethylene)hydrazino]-2H-1,2,4-triazin-5-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H10N6O/c1-7-9(17)13-10(16-14-7)15-12-6-8-4-2-3-5-11-8/h2-6H,1H3,(H2,13,15,16,17)/b12-6+

> <PUBCHEM_IUPAC_INCHIKEY>
VBSLAWZEMACWRT-WUXMJOGZSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
230.09160896

> <PUBCHEM_MOLECULAR_FORMULA>
C10H10N6O

> <PUBCHEM_MOLECULAR_WEIGHT>
230.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NNC(=NC1=O)NN=CC2=CC=CC=N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NNC(=NC1=O)N/N=C/C2=CC=CC=N2

> <PUBCHEM_CACTVS_TPSA>
91.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
230.09160896

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
13  15  8
15  16  8
16  17  8
2  4  8
2  9  8
4  8  8
5  10  8
5  9  8
7  12  8
7  17  8
8  10  8

$$$$