6451467
  -OEChem-05092423022D

  6  6  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
    2.0000   -0.1284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -1.0794    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
    2.8090    1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6451467

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
19.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQADgAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAAAAYAAAAAAAAAAAAAAACAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1H-pentazole

> <PUBCHEM_IUPAC_CAS_NAME>
1H-pentazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
1<I>H</I>-pentazole

> <PUBCHEM_IUPAC_NAME>
1H-pentazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1H-1,2,3,4,5-pentazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1H-pentazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/HN5/c1-2-4-5-3-1/h(H,1,2,3,4,5)

> <PUBCHEM_IUPAC_INCHIKEY>
WUHLVXDDBHWHLQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.5

> <PUBCHEM_EXACT_MASS>
71.02319505

> <PUBCHEM_MOLECULAR_FORMULA>
HN5

> <PUBCHEM_MOLECULAR_WEIGHT>
71.04

> <PUBCHEM_OPENEYE_CAN_SMILES>
N1N=NN=N1

> <PUBCHEM_OPENEYE_ISO_SMILES>
N1N=NN=N1

> <PUBCHEM_CACTVS_TPSA>
67.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
71.02319505

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

$$$$