Molecule

ID:44740

General Information
Structure
Molecular Formula
C₁₀H₁₂N₄
Molecular Mass
188.22908
Exact Mass
188.1061964
Charge
0
InChI
InChI=1S/C10H12N4/c1-14-10-7(9(11)13-14)4-5-8(12-10)6-2-3-6/h4-6H,2-3H2,1H3,(H2,11,13)
InChIKey
BJCNRAXMZLAQJK-UHFFFAOYSA-N
Canonic Smiles
Nc1nn(c2c1ccc(n2)C1CC1)C
Isomeric Smiles
c12c(c(nn1C)N)ccc(n2)C1CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2433763
LogD (pH = 7.4)
1.2464322
Log P
1.2464714
Molar Refractivity
66.0894
Polarizability
20.688265
Polar Surface Area
56.73
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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