
 MK-0354

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.2352    0.0159   -0.0588 C   0  0  0  0  0
    1.3480   -1.2590    0.1953 C   0  0  0  0  0
   -0.0105   -0.7130    0.0430 C   0  0  0  0  0
   -0.0031    0.6483    0.0032 C   0  0  0  0  0
    1.3166    1.2780    0.1149 C   0  0  0  0  0
   -1.2780    1.0621   -0.1341 N   0  0  0  0  0
   -2.1382    0.0165   -0.1863 N   0  0  0  0  0
   -1.3546   -1.0825   -0.0750 C   0  0  0  0  0
   -1.8444   -2.4681   -0.0757 C   0  0  0  0  0
   -3.1252   -2.8606   -0.1929 N   0  0  0  0  0
   -2.9662   -4.1877   -0.1283 N   0  0  0  0  0
   -1.7098   -4.6284    0.0167 N   0  0  0  0  0
   -0.9734   -3.5257    0.0524 N   0  0  0  0  0
    2.6075   -0.0125   -1.0916 H   0  0  0  0  0
    3.1074    0.0474    0.6019 H   0  0  0  0  0
    1.5063   -1.6357    1.2108 H   0  0  0  0  0
    1.5788   -2.0461   -0.5274 H   0  0  0  0  0
    1.5127    2.0212   -0.6619 H   0  0  0  0  0
    1.4613    1.7247    1.1032 H   0  0  0  0  0
   -1.6529    2.0034   -0.1991 H   0  0  0  0  0
   -3.7527   -4.8282   -0.1857 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  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  8  1  0  0  0
  3  4  2  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  2  0  0  0
  8  9  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 21  1  0  0  0
 12 13  2  0  0  0
M  END

>  <Chemical Name>
MK-0354

>  <PubChem CID>
11159621

>  <Formula>
C7H8N6

>  <Molecular Weight>
176.183000

>  <IUPAC Name>
3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole

>  <XlogP>
0.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2=C(C1)NN=C2C3=NNN=N3

>  <Isomeric SMILES>
C1CC2=C(C1)NN=C2C3=NNN=N3

>  <InChI Std. ID>
InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)

>  <InChI Key>
LTQYSJKGRPGMPO-UHFFFAOYSA-N

