
 CHEMBL339175

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.7213    0.7464    1.6858 C   0  0  0  0  0
    3.1784    1.1426    1.5187 C   0  0  0  0  0
    3.6070    1.0889    0.0555 C   0  0  0  0  0
    4.9918    1.4843   -0.1140 N   0  0  0  0  0
    5.3237    2.7663   -0.3523 N   0  0  0  0  0
    6.6576    2.6846   -0.3799 C   0  0  0  0  0
    7.0811    1.3534   -0.1525 C   0  0  0  0  0
    5.9897    0.5875    0.0068 N   0  0  0  0  0
    8.4348    0.8811   -0.0880 C   0  0  0  0  0
    9.4963    1.6356    0.2554 C   0  0  0  0  0
   10.8803    1.0534    0.3409 C   0  0  0  0  0
   10.8836   -0.4817    0.3087 C   0  0  0  0  0
    9.9857   -0.9899   -0.7284 N   0  0  0  0  0
    8.5935   -0.5835   -0.4495 C   0  0  0  0  0
    1.4385    0.7776    2.7431 H   0  0  0  0  0
    1.5451   -0.2695    1.3169 H   0  0  0  0  0
    1.0637    1.4301    1.1385 H   0  0  0  0  0
    3.8064    0.4729    2.1180 H   0  0  0  0  0
    3.3264    2.1532    1.9173 H   0  0  0  0  0
    2.9960    1.7596   -0.5600 H   0  0  0  0  0
    3.5040    0.0758   -0.3495 H   0  0  0  0  0
    7.2460    3.5733   -0.5613 H   0  0  0  0  0
    9.3931    2.6867    0.5050 H   0  0  0  0  0
   11.4729    1.4470   -0.4933 H   0  0  0  0  0
   11.3580    1.3903    1.2684 H   0  0  0  0  0
   11.9022   -0.8339    0.1114 H   0  0  0  0  0
   10.5930   -0.8840    1.2877 H   0  0  0  0  0
   10.0243   -2.0075   -0.7480 H   0  0  0  0  0
    8.1975   -1.2047    0.3641 H   0  0  0  0  0
    8.0145   -0.8141   -1.3524 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL339175

>  <PubChem CID>
10420105

>  <Formula>
C10H16N4

>  <Molecular Weight>
192.266000

>  <IUPAC Name>
5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN1N=CC(=N1)C2=CCCNC2

>  <Isomeric SMILES>
CCCN1N=CC(=N1)C2=CCCNC2

>  <InChI Std. ID>
InChI=1S/C10H16N4/c1-2-6-14-12-8-10(13-14)9-4-3-5-11-7-9/h4,8,11H,2-3,5-7H2,1H3

>  <InChI Key>
ABVGWLAAGJYZDT-UHFFFAOYSA-N

