4091
  Marvin  12300703363D          

 20 19  0  0  0  0            999 V2000
    1.4130   -0.2603   -0.0161 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7097    0.4035   -0.1528 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950   -1.7935   -0.3378 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4427    1.7115   -0.1038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8170   -0.4535    0.0496 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0599   -0.6292    1.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0635    0.5744   -0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1497   -0.5696   -0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9854    0.5178   -0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7353   -1.5953    1.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1450   -0.7048    1.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8535    0.1271    1.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1384    0.3878   -1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6863    0.4516   -1.9707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9244    1.6200   -0.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454   -2.4756   -0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8601    2.4332   -0.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3577    1.8718    0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7371   -0.2845    0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5097   -1.3325    0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  8  2  0  0  0  0
  3 16  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END

> <StdInChI>
InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)

> <StdInChIKey>
XZWYZXLIPXDOLR-UHFFFAOYSA-N

> <AuxInfo>
1/1/N:6,7,9,8,4,5,3,2,1/E:(1,2)(5,6)/rA:20nNNNNNCCCCHHHHHHHHHHH/rB:;;;;s1;s1;s1s2d3;d2s4s5;s6;s6;s6;s7;s7;s7;s3;s4;s4;s5;s5;/rC:1.413,-.2603,-.0161;-.7097,.4035,-.1528;-.195,-1.7935,-.3378;-2.4427,1.7115,-.1038;-2.817,-.4535,.0496;2.0599,-.6292,1.1832;2.0635,.5744,-.9509;.1497,-.5696,-.1751;-1.9854,.5178,-.0734;1.7353,-1.5953,1.5814;3.145,-.7048,1.0819;1.8535,.1271,1.9445;3.1384,.3878,-1.0113;1.6863,.4516,-1.9707;1.9244,1.62,-.6659;.4454,-2.4756,-.351;-1.8601,2.4332,-.2326;-3.3577,1.8718,.0049;-3.7371,-.2845,.0635;-2.5097,-1.3325,.1324;

> <Formula>
C4 H11 N5

> <Mw>
129.1636

> <SMILES>
N(/C(=N\[H])/N=C(\N([H])[H])/N([H])[H])(C([H])([H])[H])C([H])([H])[H]

> <CSID>
3949

$$$$