Mrv1652306031606332D          

 14 15  0  0  0  0            999 V2000
    4.7812    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  8  6  2  0  0  0  0
  9  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 12  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 14  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009920

> <DATABASE_NAME>
chemdb

> <SMILES>
COC1=NC2=NC(=N)NN2C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C7H9N5O2/c1-13-4-3-5(14-2)12-7(9-4)10-6(8)11-12/h3H,1-2H3,(H2,8,11)

> <INCHI_KEY>
SJEIPAUSEWIHJI-UHFFFAOYSA-N

> <FORMULA>
C7H9N5O2

> <MOLECULAR_WEIGHT>
195.182

> <EXACT_MASS>
195.07562455

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
18.395538292634775

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dimethoxy-1H,2H-[1,2,4]triazolo[1,5-a]pyrimidin-2-imine

> <ALOGPS_LOGP>
-0.58

> <JCHEM_LOGP>
-0.20243241433333342

> <ALOGPS_LOGS>
-2.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.859539143488657

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7772366040892734

> <JCHEM_POLAR_SURFACE_AREA>
82.30000000000001

> <JCHEM_REFRACTIVITY>
79.05850000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.66e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dimethoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-imine

> <JCHEM_VEBER_RULE>
0

> <NAME>
5,7-Dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

> <CAS>
13223-43-3

> <SYNONYMS>
[1,2,4]Triazolo[1,5-a]pyrimidin-2-amine, 5,7-dimethoxy-

$$$$