
 CHEMBL540310

 39 40  0  0  0  0  0  0  0  0999 V2000
    0.5965   -0.2158   -0.2275 C   0  0  0  0  0
    2.0662   -0.3094   -0.2521 N   0  0  0  0  0
    2.5525   -1.6308   -0.7072 C   0  0  0  0  0
    2.3828   -1.8185   -2.2240 C   0  0  0  0  0
    3.0211   -0.6950   -2.9063 N   0  0  0  0  0
    2.5328    0.6253   -2.5238 C   0  0  0  0  0
    2.7038    0.7928   -1.0056 C   0  0  0  0  0
    4.0890   -0.8278   -3.8762 C   0  0  0  0  0
    4.6276    0.2952   -4.4207 N   0  0  0  0  0
    5.6066    0.2503   -5.3197 N   0  0  0  0  0
    6.1293   -0.9221   -5.7511 C   0  0  0  0  0
    5.6416   -2.1475   -5.2506 C   0  0  0  0  0
    4.6005   -2.0763   -4.2949 C   0  0  0  0  0
    6.2106   -3.4828   -5.7201 C   0  0  0  0  0
    7.2467   -3.5437   -6.6905 C   0  0  0  0  0
    7.7644   -4.7700   -7.1175 C   0  0  0  0  0
    7.2720   -5.9620   -6.5977 C   0  0  0  0  0
    6.2584   -5.9360   -5.6464 C   0  0  0  0  0
    5.7292   -4.7188   -5.2082 C   0  0  0  0  0
    1.3505    1.5384    3.0436 Cl  0  0  0  0  0
    0.2854    0.7616    0.1981 H   0  0  0  0  0
    0.1778   -1.0087    0.4280 H   0  0  0  0  0
    0.1493   -0.3183   -1.2364 H   0  0  0  0  0
    2.0347   -2.4478   -0.1585 H   0  0  0  0  0
    3.6353   -1.7118   -0.4648 H   0  0  0  0  0
    2.7706   -2.8121   -2.4844 H   0  0  0  0  0
    1.3040   -1.8311   -2.4842 H   0  0  0  0  0
    3.0597    1.4554   -3.0368 H   0  0  0  0  0
    1.4603    0.7094   -2.7969 H   0  0  0  0  0
    3.7920    0.7949   -0.7746 H   0  0  0  0  0
    2.3001    1.7760   -0.6785 H   0  0  0  0  0
    6.9171   -0.8691   -6.4785 H   0  0  0  0  0
    4.1993   -2.9718   -3.8942 H   0  0  0  0  0
    7.6731   -2.6631   -7.1344 H   0  0  0  0  0
    8.5537   -4.7931   -7.8582 H   0  0  0  0  0
    7.6771   -6.9083   -6.9325 H   0  0  0  0  0
    5.8768   -6.8655   -5.2430 H   0  0  0  0  0
    4.9495   -4.7769   -4.4718 H   0  0  0  0  0
    2.4137    1.0615    2.3132 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  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18 19  2  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
 20 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL540310

>  <PubChem CID>
45264904

>  <Formula>
C15H19ClN4

>  <Molecular Weight>
290.795000

>  <IUPAC Name>
3-(4-methylpiperazin-1-yl)-5-phenylpyridazine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCN(CC1)C2=NN=CC(=C2)C3=CC=CC=C3.Cl

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NN=CC(=C2)C3=CC=CC=C3.Cl

>  <InChI Std. ID>
InChI=1S/C15H18N4.ClH/c1-18-7-9-19(10-8-18)15-11-14(12-16-17-15)13-5-3-2-4-6-13;/h2-6,11-12H,7-10H2,1H3;1H

>  <InChI Key>
AVNGVDFYPXCVIG-UHFFFAOYSA-N

