
 CHEMBL393064

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.9357    0.3148    1.2859 C   0  0  0  0  0
    3.3923    0.7504    1.2807 C   0  0  0  0  0
    3.9201    0.9208   -0.1441 C   0  0  0  0  0
    5.3482    1.3388   -0.1505 C   0  0  0  0  0
    5.9439    2.5819   -0.1538 C   0  0  0  0  0
    7.3359    2.3275   -0.1645 C   0  0  0  0  0
    7.5946    1.0110   -0.1660 N   0  0  0  0  0
    6.3802    0.4403   -0.1586 N   0  0  0  0  0
    8.3610    3.3809   -0.1754 C   0  0  0  0  0
    8.1185    4.7055   -0.1823 N   0  0  0  0  0
    9.3792    5.1644   -0.1957 N   0  0  0  0  0
   10.3465    4.2415   -0.1958 N   0  0  0  0  0
    9.7013    3.0819   -0.1830 N   0  0  0  0  0
    1.5728    0.2179    2.3138 H   0  0  0  0  0
    1.8149   -0.6539    0.7906 H   0  0  0  0  0
    1.3050    1.0459    0.7703 H   0  0  0  0  0
    3.9918    0.0065    1.8195 H   0  0  0  0  0
    3.4878    1.6938    1.8322 H   0  0  0  0  0
    3.3215    1.6730   -0.6731 H   0  0  0  0  0
    3.8062   -0.0184   -0.6998 H   0  0  0  0  0
    5.4506    3.5442   -0.1500 H   0  0  0  0  0
    6.3284   -0.5733   -0.1594 H   0  0  0  0  0
    9.5939    6.1574   -0.2059 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6  7  2  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 23  1  0  0  0
 12 13  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL393064

>  <PubChem CID>
44433528

>  <Formula>
C7H10N6

>  <Molecular Weight>
178.199000

>  <IUPAC Name>
5-(5-propyl-1H-pyrazol-3-yl)-2H-tetrazole

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCC1=CC(=NN1)C2=NNN=N2

>  <Isomeric SMILES>
CCCC1=CC(=NN1)C2=NNN=N2

>  <InChI Std. ID>
InChI=1S/C7H10N6/c1-2-3-5-4-6(9-8-5)7-10-12-13-11-7/h4H,2-3H2,1H3,(H,8,9)(H,10,11,12,13)

>  <InChI Key>
FQGVBFKPIPPKKG-UHFFFAOYSA-N

