
 CHEMBL311360

 39 40  0  0  0  0  0  0  0  0999 V2000
    1.3945   -0.6988    2.0261 C   0  0  0  0  0
    2.5825   -0.2683    1.1763 C   0  0  0  0  0
    3.1421    1.0711    1.6579 C   0  0  0  0  0
    4.3712    1.5754    0.8544 C   0  0  0  0  0
    4.7064    3.0329    1.3047 C   0  0  0  0  0
    5.5157    2.9953    2.5501 C   0  0  0  0  0
    6.1740    1.9057    3.0724 C   0  0  0  0  0
    6.1268    0.5532    2.4579 C   0  0  0  0  0
    5.6282    0.6288    0.9774 C   0  0  0  0  0
    6.6627    1.1002    0.0225 N   0  0  0  0  0
    7.7971    0.1845   -0.1086 C   0  0  0  0  0
    8.7520    0.6929   -1.1910 C   0  0  0  0  0
   10.0021   -0.1718   -1.2702 C   0  0  0  0  0
    6.7935    2.3924    4.2347 C   0  0  0  0  0
    6.5496    3.6929    4.4283 N   0  0  0  0  0
    5.7648    4.0374    3.3894 N   0  0  0  0  0
    0.9713   -1.6324    1.6433 H   0  0  0  0  0
    0.6068    0.0611    2.0195 H   0  0  0  0  0
    1.7002   -0.8662    3.0642 H   0  0  0  0  0
    2.2671   -0.1817    0.1303 H   0  0  0  0  0
    3.3435   -1.0525    1.2273 H   0  0  0  0  0
    3.3793    1.0014    2.7255 H   0  0  0  0  0
    2.3423    1.8193    1.5765 H   0  0  0  0  0
    4.0664    1.6195   -0.2008 H   0  0  0  0  0
    3.7915    3.6181    1.4505 H   0  0  0  0  0
    5.2841    3.5360    0.5199 H   0  0  0  0  0
    7.1004    0.0616    2.5380 H   0  0  0  0  0
    5.4310   -0.0692    3.0342 H   0  0  0  0  0
    5.3390   -0.3789    0.6588 H   0  0  0  0  0
    7.0135    2.0073    0.3352 H   0  0  0  0  0
    7.4478   -0.8191   -0.3770 H   0  0  0  0  0
    8.3492    0.1135    0.8336 H   0  0  0  0  0
    9.0516    1.7268   -0.9796 H   0  0  0  0  0
    8.2493    0.6928   -2.1658 H   0  0  0  0  0
   10.5503   -0.1524   -0.3224 H   0  0  0  0  0
   10.6708    0.1966   -2.0542 H   0  0  0  0  0
    9.7482   -1.2116   -1.4980 H   0  0  0  0  0
    7.4066    1.8608    4.9509 H   0  0  0  0  0
    5.4421    4.9973    3.3246 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 16  1  0  0  0
  7  8  1  0  0  0
  7 14  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 15  2  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 16 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL311360

>  <PubChem CID>
14539778

>  <Formula>
C13H23N3

>  <Molecular Weight>
221.348000

>  <IUPAC Name>
(5R,6R)-N,6-dipropyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

>  <XlogP>
2.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCC1CC2=C(CC1NCCC)C=NN2

>  <Isomeric SMILES>
CCC[C@@H]1CC2=C(C[C@H]1NCCC)C=NN2

>  <InChI Std. ID>
InChI=1S/C13H23N3/c1-3-5-10-7-13-11(9-15-16-13)8-12(10)14-6-4-2/h9-10,12,14H,3-8H2,1-2H3,(H,15,16)/t10-,12-/m1/s1

>  <InChI Key>
BQIVIUYIAFYMIV-ZYHUDNBSSA-N

