
 CHEMBL3641712

 38 40  0  0  0  0  0  0  0  0999 V2000
    6.1929    4.9668   -2.1700 C   0  0  0  0  0
    6.2995    3.5916   -1.5946 C   0  0  0  0  0
    6.0108    3.4304   -0.2883 N   0  0  0  0  0
    6.0750    2.1779    0.2810 N   0  0  0  0  0
    6.4415    1.1033   -0.4473 C   0  0  0  0  0
    6.7349    1.2521   -1.7954 C   0  0  0  0  0
    6.6678    2.5138   -2.3801 C   0  0  0  0  0
    6.4334   -0.1464    0.1820 N   0  0  0  0  0
    7.2276   -1.2836   -0.0390 C   0  0  0  0  0
    8.5142   -1.2252   -0.5791 C   0  0  0  0  0
    9.2530   -2.3942   -0.7938 C   0  0  0  0  0
    8.7261   -3.6566   -0.4751 C   0  0  0  0  0
    7.4432   -3.7092    0.0811 C   0  0  0  0  0
    6.7109   -2.5373    0.3041 C   0  0  0  0  0
    9.5702   -4.8916   -0.7559 C   0  0  0  0  0
    9.0511   -6.2715   -0.2607 C   0  0  0  0  0
    7.9398   -6.8251   -1.0606 N   0  0  0  0  0
    8.3240   -6.8133   -2.4807 C   0  0  0  0  0
    8.7946   -5.4276   -2.9426 C   0  0  0  0  0
    9.9029   -4.9594   -2.1603 O   0  0  0  0  0
    5.8868    5.6882   -1.4064 H   0  0  0  0  0
    5.4471    4.9838   -2.9723 H   0  0  0  0  0
    7.1594    5.2855   -2.5733 H   0  0  0  0  0
    6.9853    0.3900   -2.4046 H   0  0  0  0  0
    6.8865    2.6390   -3.4355 H   0  0  0  0  0
    6.1592   -0.0335    1.1531 H   0  0  0  0  0
    8.9709   -0.2708   -0.8243 H   0  0  0  0  0
   10.2500   -2.3183   -1.2254 H   0  0  0  0  0
    6.9769   -4.6594    0.3314 H   0  0  0  0  0
    5.7087   -2.6150    0.7199 H   0  0  0  0  0
   10.5222   -4.7247   -0.2343 H   0  0  0  0  0
    8.7472   -6.2141    0.7902 H   0  0  0  0  0
    9.8820   -6.9877   -0.3117 H   0  0  0  0  0
    7.7596   -7.7851   -0.7685 H   0  0  0  0  0
    9.1294   -7.5416   -2.6359 H   0  0  0  0  0
    7.4688   -7.1308   -3.0858 H   0  0  0  0  0
    9.1335   -5.4853   -3.9821 H   0  0  0  0  0
    7.9781   -4.6971   -2.9087 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  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
  6 24  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 17 34  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
M  END

>  <Chemical Name>
CHEMBL3641712

>  <PubChem CID>
68325862

>  <Formula>
C15H18N4O

>  <Molecular Weight>
270.336000

>  <IUPAC Name>
6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridazin-3-amine

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NN=C(C=C1)NC2=CC=C(C=C2)C3CNCCO3

>  <Isomeric SMILES>
CC1=NN=C(C=C1)NC2=CC=C(C=C2)[C@H]3CNCCO3

>  <InChI Std. ID>
InChI=1S/C15H18N4O/c1-11-2-7-15(19-18-11)17-13-5-3-12(4-6-13)14-10-16-8-9-20-14/h2-7,14,16H,8-10H2,1H3,(H,17,19)/t14-/m1/s1

>  <InChI Key>
HFUZOZOERXDHOL-CQSZACIVSA-N

