178030
  -OEChem-04242407532D

 29 30  0     1  0  0  0  0  0999 V2000
    6.8970   -1.1012    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.5823    1.2352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2514    0.4920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0604    1.8933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    2.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631   -0.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310   -0.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970    0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970   -2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650    0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9751   -1.1838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3736   -0.4936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4204   -0.4936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8190   -1.1838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3736    0.2911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9751    0.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970    1.5188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2770   -2.1012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970   -2.7212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5170   -2.1012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0305    0.8589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587    0.5347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016    2.3041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    2.4413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    1.5752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
178030

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
227

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgAAAAAAAAAAAAAAAAAAAAWAAAAAgAAAAAAAAAAABgAAAHAAIAAAADADBAwQDEAcAAACiAiJiIACQAAIggAAUCAAoABgAAAAAQQAEAAAACACIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
5-(2-ethyl-5-tetrazolyl)-1-methyl-3,6-dihydro-2H-pyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2<I>H</I>-pyridine

> <PUBCHEM_IUPAC_NAME>
5-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(2-ethyl-1,2,3,4-tetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-5-4-6-13(2)7-8/h5H,3-4,6-7H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
RNMOMKCRCIRYCZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
193.13274550

> <PUBCHEM_MOLECULAR_FORMULA>
C9H15N5

> <PUBCHEM_MOLECULAR_WEIGHT>
193.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1N=C(N=N1)C2=CCCN(C2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1N=C(N=N1)C2=CCCN(C2)C

> <PUBCHEM_CACTVS_TPSA>
46.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
193.13274550

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
2  3  8
2  5  8
3  12  8
4  12  8
4  5  8

$$$$