Molecule

ID:50705

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O
Molecular Mass
154.1698
Exact Mass
154.08546096
Charge
0
InChI
InChI=1S/C6H10N4O/c1-3-4(6(8)11)5(7)10(2)9-3/h7H2,1-2H3,(H2,8,11)
InChIKey
CCXYHAGBWDDQON-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1c(C)nn(c1N)C
Isomeric Smiles
c1(c(n(nc1C)C)N)C(=O)N
Calculated Properties
JChem
Acid pKa
13.466468
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.710703
LogD (pH = 7.4)
-0.7065712
Log P
-0.7065186
Molar Refractivity
52.585
Polarizability
14.709088
Polar Surface Area
86.93
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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