Mrv0541 02241215272D          

 14 14  0  0  0  0            999 V2000
   -0.6412    1.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    1.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214    0.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214   -0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3629   -1.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0846   -0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7214    0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7214   -0.6011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004   -1.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004   -1.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0846    0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3629    0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7638    1.3228    0.0000 C   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  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM023396

> <DATABASE_NAME>
chemdb

> <SMILES>
COC1=NC(OC)=C(C)N=C1C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C10H16N2O2/c1-6(2)8-10(14-5)12-9(13-4)7(3)11-8/h6H,1-5H3

> <INCHI_KEY>
RPOATJOHCIPTNJ-UHFFFAOYSA-N

> <FORMULA>
C10H16N2O2

> <MOLECULAR_WEIGHT>
196.2462

> <EXACT_MASS>
196.121177766

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
21.541321504044532

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,6-dimethoxy-3-methyl-5-(propan-2-yl)pyrazine

> <ALOGPS_LOGP>
2.29

> <JCHEM_LOGP>
1.9177359539999996

> <ALOGPS_LOGS>
-1.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.1400446450514579

> <JCHEM_POLAR_SURFACE_AREA>
44.24

> <JCHEM_REFRACTIVITY>
53.681999999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.08e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-isopropyl-3,5-dimethoxy-6-methylpyrazine

> <JCHEM_VEBER_RULE>
0

> <NAME>
2-Isopropyl-3,5-dimethoxy-6-methylpyrazine

> <CAS>
32021-42-4

$$$$