Molecule

ID:59177

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₄
Molecular Mass
162.1918
Exact Mass
162.09054634
Charge
0
InChI
InChI=1S/C8H10N4/c1-5-3-2-4-6-7(5)11-8(10-6)12-9/h2-4H,9H2,1H3,(H2,10,11,12)
InChIKey
QCSSNYNZFSNIFZ-UHFFFAOYSA-N
Canonic Smiles
NNc1nc2c([nH]1)cccc2C
Isomeric Smiles
n1c([nH]c2c1c(ccc2)C)NN
Calculated Properties
JChem
Acid pKa
12.392138
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.7942827
LogD (pH = 7.4)
1.7646943
Log P
1.848818
Molar Refractivity
49.1897
Polarizability
18.982151
Polar Surface Area
66.73
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation