Mrv1572004191602282D          

 12 13  0  0  0  0            999 V2000
    0.7742   -1.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5992   -1.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5193    0.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1867   -1.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1867   -0.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7742    1.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2893    1.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1400    3.1668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6249    2.4994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.2937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5992    1.0783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5312    1.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008752

> <DATABASE_NAME>
chemdb

> <SMILES>
NNC(=O)C1=NNC(=C1)C1CC1

> <INCHI_IDENTIFIER>
InChI=1S/C7H10N4O/c8-9-7(12)6-3-5(10-11-6)4-1-2-4/h3-4H,1-2,8H2,(H,9,12)(H,10,11)

> <INCHI_KEY>
SAPZJBNBSMCKAR-UHFFFAOYSA-N

> <FORMULA>
C7H10N4O

> <MOLECULAR_WEIGHT>
166.184

> <EXACT_MASS>
166.085460958

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
16.925972760046434

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-cyclopropyl-1H-pyrazole-3-carbohydrazide

> <ALOGPS_LOGP>
0.02

> <JCHEM_LOGP>
-0.1592246233333333

> <ALOGPS_LOGS>
-1.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.335792785377581

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.543868117603848

> <JCHEM_PKA_STRONGEST_BASIC>
2.626585888279894

> <JCHEM_POLAR_SURFACE_AREA>
83.79999999999998

> <JCHEM_REFRACTIVITY>
45.278999999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.17e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-cyclopropyl-1H-pyrazole-3-carbohydrazide

> <JCHEM_VEBER_RULE>
0

> <NAME>
Sulfonyl azide intermediate

> <CAS>
257002

$$$$