
 SCHEMBL16143091

 43 46  0  0  0  0  0  0  0  0999 V2000
    2.0852   -0.0016    1.5820 C   0  0  0  0  0
    2.2765    0.5756    0.1886 C   0  0  0  0  0
    3.0013    1.8687    0.2135 C   0  0  0  0  0
    2.3733    3.0433    0.3200 N   0  0  0  0  0
    3.4214    3.9658    0.3104 O   0  0  0  0  0
    4.5867    3.2497    0.2005 C   0  0  0  0  0
    4.3684    1.9479    0.1368 N   0  0  0  0  0
    5.8771    3.8555    0.1423 C   0  0  0  0  0
    6.1104    5.1531    0.1547 N   0  0  0  0  0
    7.4662    5.3493    0.0067 N   0  0  0  0  0
    8.0389    4.1682   -0.1062 C   0  0  0  0  0
    7.0733    3.2067    0.0410 N   0  0  0  0  0
    7.3582    1.7925    0.0635 C   0  0  0  0  0
    8.8247    1.5712    0.4040 C   0  0  0  0  0
    9.7015    2.3859   -0.4526 N   0  0  0  0  0
    9.4913    3.8584   -0.3672 C   0  0  0  0  0
    9.9135    4.5883   -1.6515 C   0  0  0  0  0
   11.0141    1.9445   -0.6856 C   0  0  0  0  0
   11.9902    2.6887   -0.6511 O   0  0  0  0  0
   11.2422    0.5101   -1.0232 C   0  0  0  0  0
   12.4379   -0.0931   -0.6077 C   0  0  0  0  0
   12.6876   -1.4327   -0.9106 C   0  0  0  0  0
   11.7475   -2.1588   -1.6334 C   0  0  0  0  0
   10.5711   -1.5652   -2.0805 C   0  0  0  0  0
   10.3231   -0.2217   -1.7912 C   0  0  0  0  0
   11.9816   -3.4474   -1.9120 F   0  0  0  0  0
    1.5566   -0.9585    1.5284 H   0  0  0  0  0
    1.5004    0.6759    2.2136 H   0  0  0  0  0
    3.0486   -0.1712    2.0750 H   0  0  0  0  0
    1.2988    0.7037   -0.2907 H   0  0  0  0  0
    2.8361   -0.1405   -0.4246 H   0  0  0  0  0
    6.7294    1.3109    0.8169 H   0  0  0  0  0
    7.1179    1.4000   -0.9303 H   0  0  0  0  0
    9.0316    1.8710    1.4405 H   0  0  0  0  0
    9.0608    0.5069    0.3497 H   0  0  0  0  0
   10.0849    4.2276    0.4788 H   0  0  0  0  0
    9.3897    4.1839   -2.5251 H   0  0  0  0  0
   10.9862    4.5078   -1.8443 H   0  0  0  0  0
    9.6838    5.6584   -1.5893 H   0  0  0  0  0
   13.1767    0.4822   -0.0525 H   0  0  0  0  0
   13.6093   -1.9104   -0.5920 H   0  0  0  0  0
    9.8630   -2.1517   -2.6581 H   0  0  0  0  0
    9.4196    0.2467   -2.1720 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  7  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 16  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 42  1  0  0  0
 25 43  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL16143091

>  <PubChem CID>
86274961

>  <Formula>
C17H17FN6O2

>  <Molecular Weight>
356.361000

>  <IUPAC Name>
[(8R)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC1=NOC(=N1)C2=NN=C3N2CCN(C3C)C(=O)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CCC1=NOC(=N1)C2=NN=C3N2CCN([C@@H]3C)C(=O)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C17H17FN6O2/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1

>  <InChI Key>
AWKTWOOCLJMRQH-SNVBAGLBSA-N

