667169
  -OEChem-04232412562D

 29 30  0     0  0  0  0  0  0999 V2000
    2.8090   -0.8633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.0846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0723    0.3633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5723   -1.1755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8813   -0.2245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5723   -1.1755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0723    1.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9383    1.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   -1.1320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0577   -0.9663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1833    0.6910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    1.1771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8603    1.9459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617    1.2557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.4671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    1.1771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890   -1.8633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -2.4833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4290   -1.8633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2483    1.3264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4753    2.1733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6283    2.4003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 15  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
667169

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
199

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgAAAAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAAAAAB4AAAHAAYAAAACAjBFgQ/kJfMEACiATRnZACCgCMxgqAd2KA4ZJiIYOLAmZGUAAh4gALIyAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1-ethyl-N-[(1-methyl-2-pyrrolyl)methyl]-5-tetrazolamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-ethyl-<I>N</I>-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine

> <PUBCHEM_IUPAC_NAME>
1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]tetrazol-5-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-ethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,2,3,4-tetrazol-5-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1-ethyltetrazol-5-yl)-[(1-methylpyrrol-2-yl)methyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H14N6/c1-3-15-9(11-12-13-15)10-7-8-5-4-6-14(8)2/h4-6H,3,7H2,1-2H3,(H,10,11,13)

> <PUBCHEM_IUPAC_INCHIKEY>
BIIFPIXVCLBVOD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.5

> <PUBCHEM_EXACT_MASS>
206.12799447

> <PUBCHEM_MOLECULAR_FORMULA>
C9H14N6

> <PUBCHEM_MOLECULAR_WEIGHT>
206.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1C(=NN=N1)NCC2=CC=CN2C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1C(=NN=N1)NCC2=CC=CN2C

> <PUBCHEM_CACTVS_TPSA>
60.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
206.12799447

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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  11  8
1  7  8
11  13  8
3  10  8
3  5  8
4  10  8
4  6  8
5  6  8
7  9  8
9  13  8

$$$$