7532476
  -OEChem-04252411062D

 37 40  0     0  0  0  0  0  0999 V2000
    2.6691   -0.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4571    1.5547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0407    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4571   -0.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7678   -1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2419    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1784   -1.1979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9604   -1.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3571   -0.8126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389    1.6594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    2.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.5216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 24  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4  9  2  0  0  0  0
  5 12  1  0  0  0  0
  5 20  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 17  2  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 19  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  2  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7532476

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
462

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7sAAAAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAFgB/AAAHgAYAAAADAyhnwIz9J7IFECqA69y9AKSjCslIqAdmCH2bNiOLrLEvb+HuSjk3BPY6aeYl4IOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H13N5O2/c1-11-19-20-16-8-7-14(21-22(11)16)12-4-2-5-13(10-12)18-17(23)15-6-3-9-24-15/h2-10H,1H3,(H,18,23)

> <PUBCHEM_IUPAC_INCHIKEY>
WTUXVGZLJUJSSO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
319.10692467

> <PUBCHEM_MOLECULAR_FORMULA>
C17H13N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
319.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
85.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
319.10692467

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
1  21  8
1  24  8
10  15  8
11  12  8
12  17  8
13  15  8
16  18  8
17  18  8
21  22  8
22  23  8
23  24  8
3  10  8
3  14  8
3  4  8
4  9  8
6  10  8
6  7  8
7  14  8
8  11  8
8  16  8
9  13  8

$$$$