
 5-amino-3-(3-aminopropyl)-1H-pyrazole-4-carbonitrile

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.9530    0.0879   -0.0760 C   0  0  0  0  0
    0.3840   -1.3315    0.0207 C   0  0  0  0  0
   -1.1027   -1.3669   -0.0268 C   0  0  0  0  0
   -2.0822   -1.2955    0.9445 C   0  0  0  0  0
   -3.3063   -1.3781    0.2441 C   0  0  0  0  0
   -3.1167   -1.4886   -1.0678 N   0  0  0  0  0
   -1.7815   -1.4856   -1.2108 N   0  0  0  0  0
   -4.5278   -1.3418    0.7921 N   0  0  0  0  0
   -1.8750   -1.1553    2.3471 C   0  0  0  0  0
   -1.6980   -1.0251    3.4864 N   0  0  0  0  0
    0.5905    0.8526   -1.3527 C   0  0  0  0  0
    0.9347    0.1056   -2.5599 N   0  0  0  0  0
    0.6136    0.6766    0.7860 H   0  0  0  0  0
    2.0458    0.0247    0.0031 H   0  0  0  0  0
    0.7242   -1.7813    0.9617 H   0  0  0  0  0
    0.7985   -1.9619   -0.7758 H   0  0  0  0  0
   -1.3882   -1.5366   -2.1474 H   0  0  0  0  0
   -5.3164   -1.2448    0.1616 H   0  0  0  0  0
   -4.6998   -1.0149    1.7355 H   0  0  0  0  0
    1.1212    1.8113   -1.3588 H   0  0  0  0  0
   -0.4795    1.0847   -1.3681 H   0  0  0  0  0
    1.9452   -0.0440   -2.5822 H   0  0  0  0  0
    0.7341    0.6892   -3.3743 H   0  0  0  0  0
  1 11  1  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  7  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  2  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  7 17  1  0  0  0
  8 18  1  0  0  0
  8 19  1  0  0  0
  9 10  3  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 11 21  1  0  0  0
 12 22  1  0  0  0
 12 23  1  0  0  0
M  END

>  <Chemical Name>
5-amino-3-(3-aminopropyl)-1H-pyrazole-4-carbonitrile

>  <PubChem CID>
2398027

>  <Formula>
C7H11N5

>  <Molecular Weight>
165.200000

>  <IUPAC Name>
3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile

>  <XlogP>
-0.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C(CC1=C(C(=NN1)N)C#N)CN

>  <Isomeric SMILES>
C(CC1=C(C(=NN1)N)C#N)CN

>  <InChI Std. ID>
InChI=1S/C7H11N5/c8-3-1-2-6-5(4-9)7(10)12-11-6/h1-3,8H2,(H3,10,11,12)

>  <InChI Key>
AALOEZGCFHDEHM-UHFFFAOYSA-N

