
 CHEMBL77421

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.4829   -1.4006    1.5101 C   0  0  0  0  0
    3.5084   -0.8368    0.5377 C   0  0  0  0  0
    3.9095    0.4946    0.9738 N   0  0  0  0  0
    4.8391    1.1774    0.0542 C   0  0  0  0  0
    6.2082    0.4551   -0.1180 C   0  0  0  0  0
    7.0321    0.3669    1.1836 C   0  0  0  0  0
    6.9631    1.6689    1.8897 C   0  0  0  0  0
    6.0801    2.6922    1.6375 C   0  0  0  0  0
    5.0627    2.6429    0.5509 C   0  0  0  0  0
    6.4016    3.6756    2.5869 C   0  0  0  0  0
    7.4108    3.2988    3.3807 N   0  0  0  0  0
    7.7350    2.0697    2.9368 N   0  0  0  0  0
    2.1667   -2.3984    1.1881 H   0  0  0  0  0
    1.5922   -0.7648    1.5617 H   0  0  0  0  0
    2.9001   -1.4898    2.5192 H   0  0  0  0  0
    3.0637   -0.7930   -0.4624 H   0  0  0  0  0
    4.3633   -1.5189    0.5045 H   0  0  0  0  0
    4.3121    0.4605    1.9116 H   0  0  0  0  0
    4.3511    1.2427   -0.9270 H   0  0  0  0  0
    6.7914    1.0164   -0.8616 H   0  0  0  0  0
    6.0789   -0.5477   -0.5396 H   0  0  0  0  0
    8.0688    0.1024    0.9487 H   0  0  0  0  0
    6.6259   -0.4208    1.8286 H   0  0  0  0  0
    4.1175    3.0901    0.8824 H   0  0  0  0  0
    5.4248    3.2483   -0.2897 H   0  0  0  0  0
    5.9497    4.6476    2.7377 H   0  0  0  0  0
    8.4863    1.5712    3.4017 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 12 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL77421

>  <PubChem CID>
14539718

>  <Formula>
C9H15N3

>  <Molecular Weight>
165.240000

>  <IUPAC Name>
N-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCNC1CCC2=C(C1)C=NN2

>  <Isomeric SMILES>
CCNC1CCC2=C(C1)C=NN2

>  <InChI Std. ID>
InChI=1S/C9H15N3/c1-2-10-8-3-4-9-7(5-8)6-11-12-9/h6,8,10H,2-5H2,1H3,(H,11,12)

>  <InChI Key>
DDFOVLJCDZCIIF-UHFFFAOYSA-N

