15567523
  -OEChem-04242409462D

 11 10  0     0  0  0  0  0  0999 V2000
    5.1350    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9650    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  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  3  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15567523

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
49.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAYAAAACADBAAQAAABiAABAGAAAAAAAAAAAAAIQIIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
prop-2-ynylhydrazine

> <PUBCHEM_IUPAC_CAS_NAME>
prop-2-ynylhydrazine

> <PUBCHEM_IUPAC_NAME_MARKUP>
prop-2-ynylhydrazine

> <PUBCHEM_IUPAC_NAME>
prop-2-ynylhydrazine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
prop-2-ynyldiazane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
propargylhydrazine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H6N2/c1-2-3-5-4/h1,5H,3-4H2

> <PUBCHEM_IUPAC_INCHIKEY>
CYCYZHMUOSKYBG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.8

> <PUBCHEM_EXACT_MASS>
70.053098200

> <PUBCHEM_MOLECULAR_FORMULA>
C3H6N2

> <PUBCHEM_MOLECULAR_WEIGHT>
70.09

> <PUBCHEM_OPENEYE_CAN_SMILES>
C#CCNN

> <PUBCHEM_OPENEYE_ISO_SMILES>
C#CCNN

> <PUBCHEM_CACTVS_TPSA>
38

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
70.053098200

> <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

$$$$
