3637
 OpenBabel05082101102D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.6660   -0.9573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.5427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.4573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.6973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.2098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.8756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -1.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3 11  2  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
3637

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
150

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAAYAAAADADBGgQ9sNBiAACiAjJnYACSBAIggAIcuCAgRJgIIKKAkZGAoABwiAAIyAcQgIAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
phthalazin-1-ylhydrazine

>  <PUBCHEM_IUPAC_CAS_NAME>
1-phthalazinylhydrazine

>  <PUBCHEM_IUPAC_NAME_MARKUP>
phthalazin-1-ylhydrazine

>  <PUBCHEM_IUPAC_NAME>
phthalazin-1-ylhydrazine

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
phthalazin-1-yldiazane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phthalazin-1-ylhydrazine

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)

>  <PUBCHEM_IUPAC_INCHIKEY>
RPTUSVTUFVMDQK-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
0.7

>  <PUBCHEM_EXACT_MASS>
160.074896

>  <PUBCHEM_MOLECULAR_FORMULA>
C8H8N4

>  <PUBCHEM_MOLECULAR_WEIGHT>
160.18

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=NN=C2NN

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=NN=C2NN

>  <PUBCHEM_CACTVS_TPSA>
63.8

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
160.074896

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
10  12  8
2  3  8
2  7  8
3  11  8
5  6  8
5  7  8
5  8  8
6  11  8
6  9  8
8  10  8
9  12  8

$$$$
