115034
  -OEChem-04192419222D

  6  5  0     0  0  0  0  0  0999 V2000
    4.2690   -0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  3  6  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
115034

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
7.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAACAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
triazene

> <PUBCHEM_IUPAC_CAS_NAME>
triazene

> <PUBCHEM_IUPAC_NAME_MARKUP>
triazene

> <PUBCHEM_IUPAC_NAME>
triazene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
triazene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
triazene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/H3N3/c1-3-2/h(H3,1,2)

> <PUBCHEM_IUPAC_INCHIKEY>
AYNNSCRYTDRFCP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
45.032697108

> <PUBCHEM_MOLECULAR_FORMULA>
H3N3

> <PUBCHEM_MOLECULAR_WEIGHT>
45.044

> <PUBCHEM_OPENEYE_CAN_SMILES>
NN=N

> <PUBCHEM_OPENEYE_ISO_SMILES>
NN=N

> <PUBCHEM_CACTVS_TPSA>
62.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
45.032697108

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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

$$$$