Mrv1652304272018322D          

 10 10  0  0  0  0            999 V2000
    0.8250   -2.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
> <DATABASE_ID>
CDB005561

> <DATABASE_NAME>
CDB

> <SMILES>
CCCC1=CN=CC(N)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C7H11N3/c1-2-3-6-4-9-5-7(8)10-6/h4-5H,2-3H2,1H3,(H2,8,10)

> <INCHI_KEY>
MOTGGRBIFDDFLU-UHFFFAOYSA-N

> <FORMULA>
C7H11N3

> <MOLECULAR_WEIGHT>
137.186

> <EXACT_MASS>
137.095297366

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
15.190821824656048

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-propylpyrazin-2-amine

> <ALOGPS_LOGP>
0.83

> <JCHEM_LOGP>
0.5799072189999999

> <ALOGPS_LOGS>
-0.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.8450138559496794

> <JCHEM_POLAR_SURFACE_AREA>
51.8

> <JCHEM_REFRACTIVITY>
40.57749999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.81e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-propylpyrazin-2-amine

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB005561

> <GENERIC_NAME>
2-Amino-6-propylpyrazine

$$$$