49795456
  -OEChem-04162414322D

 39 41  0     0  0  0  0  0  0999 V2000
    4.7175   -1.5436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    3.2493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0066   -2.7003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    1.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531   -0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3638   -1.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3423   -1.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102   -0.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6960   -1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3388   -3.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9851   -2.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4465    0.0729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139    2.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1136    0.9446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5349   -1.8010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6168   -0.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8773   -3.0305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247   -3.9061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8002   -3.8587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8573   -3.5132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5918   -3.0344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1130   -2.2998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.4815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  3 12  1  0  0  0  0
  4 16  2  0  0  0  0
  5 18  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  2  0  0  0  0
 11 18  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 19  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 19  1  0  0  0  0
 17 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49795456

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
402

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAYAAAADAjBnwQ/sJ/IEACqAzd3dACShC81EqAd2KE4dNiIaPLAnZGUoQh4mgLIyacYicCeAAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N-dimethyl-3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N,N-dimethyl-3-[6-(methylamino)-3-imidazo[1,2-b]pyridazinyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,<I>N</I>-dimethyl-3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

> <PUBCHEM_IUPAC_NAME>
N,N-dimethyl-3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N-dimethyl-3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N,N-dimethyl-3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H17N5O/c1-17-14-7-8-15-18-10-13(21(15)19-14)11-5-4-6-12(9-11)16(22)20(2)3/h4-10H,1-3H3,(H,17,19)

> <PUBCHEM_IUPAC_INCHIKEY>
XVAIOXNKXFUHRZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
295.14331018

> <PUBCHEM_MOLECULAR_FORMULA>
C16H17N5O

> <PUBCHEM_MOLECULAR_WEIGHT>
295.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC1=NN2C(=NC=C2C3=CC(=CC=C3)C(=O)N(C)C)C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC1=NN2C(=NC=C2C3=CC(=CC=C3)C(=O)N(C)C)C=C1

> <PUBCHEM_CACTVS_TPSA>
62.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
295.14331018

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
11  15  8
13  17  8
14  19  8
15  17  8
16  19  8
2  4  8
2  7  8
2  9  8
3  12  8
3  9  8
4  16  8
7  12  8
8  10  8
8  13  8
9  14  8

$$$$