Mrv1652304272019232D          

 13 14  0  0  0  0            999 V2000
   -1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9196    1.0165    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
    2.9196    1.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1349    0.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7144    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    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1349    2.0964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  5  2  0  0  0  0
  3 10  1  0  0  0  0
  4 12  2  0  0  0  0
  5 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB006040

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=NC=CC(CN2C=CC=N2)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H11N3/c1-9-7-10(3-5-11-9)8-13-6-2-4-12-13/h2-7H,8H2,1H3

> <INCHI_KEY>
WMNKUJJVLYRUPL-UHFFFAOYSA-N

> <FORMULA>
C10H11N3

> <MOLECULAR_WEIGHT>
173.219

> <EXACT_MASS>
173.095297366

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
18.63339718283082

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-methyl-4-[(1H-pyrazol-1-yl)methyl]pyridine

> <ALOGPS_LOGP>
1.47

> <JCHEM_LOGP>
1.039276733

> <ALOGPS_LOGS>
-1.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
6.001821714840101

> <JCHEM_POLAR_SURFACE_AREA>
30.71

> <JCHEM_REFRACTIVITY>
62.008599999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.97e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methyl-4-(pyrazol-1-ylmethyl)pyridine

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006040

> <GENERIC_NAME>
Methylpyridylmethyldiazoled

$$$$