Molecule

ID:18822

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₄
Molecular Mass
140.18628
Exact Mass
140.1061964
Charge
0
InChI
InChI=1S/C6H12N4/c1-6(2,3)4-8-5(7)10-9-4/h1-3H3,(H3,7,8,9,10)
InChIKey
WJYHYRWRTPOGSH-UHFFFAOYSA-N
Canonic Smiles
CC(c1nnc([nH]1)N)(C)C
Isomeric Smiles
[nH]1c(nnc1N)C(C)(C)C
Calculated Properties
JChem
Acid pKa
11.2612
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.66530585
LogD (pH = 7.4)
0.6721076
Log P
0.6722493
Molar Refractivity
41.5458
Polarizability
14.702093
Polar Surface Area
67.59
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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