9257
  -OEChem-05082407052D

  8  8  0     0  0  0  0  0  0999 V2000
    2.8090   -0.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.1284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.0632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    1.5810    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  6  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9257

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
28.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBDAAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAFAAYAAAAAAAAAAQFEAZrEAAiAAABJAAQAAuQgIAFYIAIAACACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1H-1,2,4-triazole

> <PUBCHEM_IUPAC_CAS_NAME>
1H-1,2,4-triazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
1<I>H</I>-1,2,4-triazole

> <PUBCHEM_IUPAC_NAME>
1H-1,2,4-triazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1H-1,2,4-triazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1H-1,2,4-triazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)

> <PUBCHEM_IUPAC_INCHIKEY>
NSPMIYGKQJPBQR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.6

> <PUBCHEM_EXACT_MASS>
69.032697108

> <PUBCHEM_MOLECULAR_FORMULA>
C2H3N3

> <PUBCHEM_MOLECULAR_WEIGHT>
69.07

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC=NN1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=NC=NN1

> <PUBCHEM_CACTVS_TPSA>
41.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
69.032697108

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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>
1  2  8
1  4  8
2  5  8
3  4  8
3  5  8

$$$$