1727
  DSViewer          3D                             0

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.8551    2.0424   -0.0001 N   0  0  0  0  0  0  0  0  0  1
    2.8211   -2.1101    0.0003 N   0  0  0  0  0  0  0  0  0  2
    2.8439    0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  3
    1.6927   -0.0142   -0.0003 C   0  0  0  0  0  0  0  0  0  4
    4.0928   -0.0972    0.0005 C   0  0  0  0  0  0  0  0  0  5
    1.7137   -1.4780   -0.0001 C   0  0  0  0  0  0  0  0  0  6
    4.0551   -1.4286    0.0006 C   0  0  0  0  0  0  0  0  0  7
    0.7451    0.5246   -0.0006 H   0  0  0  0  0  0  0  0  0  8
    5.0483    0.4273    0.0007 H   0  0  0  0  0  0  0  0  0  9
    0.7750   -2.0321   -0.0004 H   0  0  0  0  0  0  0  0  0 10
    4.9859   -1.9958    0.0009 H   0  0  0  0  0  0  0  0  0 11
    3.7204    2.5322    0.0001 H   0  0  0  0  0  0  0  0  0 12
    1.9978    2.5461   -0.0004 H   0  0  0  0  0  0  0  0  0 13
  1  3  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  6  2  0  0  0
  2  7  1  0  0  0
  3  4  2  0  0  0
  3  5  1  0  0  0
  4  6  1  0  0  0
  4  8  1  0  0  0
  5  7  2  0  0  0
  5  9  1  0  0  0
  6 10  1  0  0  0
  7 11  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1727

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
48

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjAAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAAQAAAACAjBEgQ8wJJIEACgADRnRACCgCAxAiAI2CA4ZJgIIGLA0dGEJAhgkADIyAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
pyridin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
4-pyridinamine

> <PUBCHEM_IUPAC_NAME>
pyridin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
pyridin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-pyridylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
NUKYPUAOHBNCPY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.3

> <PUBCHEM_EXACT_MASS>
94.0531

> <PUBCHEM_MOLECULAR_FORMULA>
C5H6N2

> <PUBCHEM_MOLECULAR_WEIGHT>
94.1145

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CN=CC=C1N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CN=CC=C1N

> <PUBCHEM_CACTVS_TPSA>
38.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
94.0531

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  6  8
2  7  8
3  4  8
3  5  8
4  6  8
5  7  8

$$$$
