
 CHEMBL299213

 44 46  0  0  0  0  0  0  0  0999 V2000
    2.2383    2.4252    4.8059 C   0  0  0  0  0
    3.3886    3.3994    4.6326 C   0  0  0  0  0
    3.2439    4.2084    3.4456 N   0  0  0  0  0
    3.7295    3.8230    2.2502 N   0  0  0  0  0
    3.4019    4.9007    1.5160 C   0  0  0  0  0
    2.7026    5.8462    2.2233 N   0  0  0  0  0
    2.6068    5.3908    3.4646 N   0  0  0  0  0
    3.7066    5.0451    0.0735 C   0  0  0  0  0
    5.0506    5.7310   -0.0047 C   0  0  0  0  0
    5.1298    7.1372   -0.0048 C   0  0  0  0  0
    6.3867    7.7753   -0.0634 C   0  0  0  0  0
    7.5322    6.9834   -0.1196 C   0  0  0  0  0
    7.4878    5.5853   -0.1196 C   0  0  0  0  0
    6.2301    4.9759   -0.0596 C   0  0  0  0  0
    8.6104    7.8357   -0.1652 N   0  0  0  0  0
    8.1881    9.1372   -0.1395 C   0  0  0  0  0
    6.8084    9.1444   -0.0756 C   0  0  0  0  0
    5.9227   10.3534   -0.0279 C   0  0  0  0  0
    5.5486   10.7391    1.4145 C   0  0  0  0  0
    4.6943   11.9427    1.5112 N   0  0  0  0  0
    3.3609   11.7067    0.9518 C   0  0  0  0  0
    4.5700   12.3457    2.9156 C   0  0  0  0  0
    2.3795    1.8275    5.7116 H   0  0  0  0  0
    2.1676    1.7423    3.9527 H   0  0  0  0  0
    1.2830    2.9540    4.8901 H   0  0  0  0  0
    4.3402    2.8624    4.5547 H   0  0  0  0  0
    3.4548    4.0758    5.4916 H   0  0  0  0  0
    2.9397    5.6430   -0.4318 H   0  0  0  0  0
    3.7366    4.0718   -0.4292 H   0  0  0  0  0
    4.2256    7.7380    0.0510 H   0  0  0  0  0
    8.3924    4.9876   -0.1584 H   0  0  0  0  0
    6.1780    3.8880   -0.0447 H   0  0  0  0  0
    9.5744    7.5368   -0.2097 H   0  0  0  0  0
    8.9024    9.9493   -0.1678 H   0  0  0  0  0
    5.0253   10.1433   -0.6205 H   0  0  0  0  0
    6.4291   11.1963   -0.5151 H   0  0  0  0  0
    6.4863   10.9323    1.9539 H   0  0  0  0  0
    5.0714    9.8889    1.9209 H   0  0  0  0  0
    3.4087   11.5446   -0.1293 H   0  0  0  0  0
    2.7218   12.5860    1.0938 H   0  0  0  0  0
    2.8644   10.8454    1.4134 H   0  0  0  0  0
    5.5531   12.5816    3.3381 H   0  0  0  0  0
    4.1066   11.5656    3.5307 H   0  0  0  0  0
    3.9680   13.2572    3.0033 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 15  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
 21 41  1  0  0  0
 22 42  1  0  0  0
 22 43  1  0  0  0
 22 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL299213

>  <PubChem CID>
10063283

>  <Formula>
C16H22N6

>  <Molecular Weight>
298.394000

>  <IUPAC Name>
2-[5-[(2-ethyltetrazol-5-yl)methyl]-1H-indol-3-yl]-N,N-dimethylethanamine

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN1N=C(N=N1)CC2=CC3=C(C=C2)NC=C3CCN(C)C

>  <Isomeric SMILES>
CCN1N=C(N=N1)CC2=CC3=C(C=C2)NC=C3CCN(C)C

>  <InChI Std. ID>
InChI=1S/C16H22N6/c1-4-22-19-16(18-20-22)10-12-5-6-15-14(9-12)13(11-17-15)7-8-21(2)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3

>  <InChI Key>
IIYLGSKFTYDEID-UHFFFAOYSA-N

