Molecule

ID:67073

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅N₅
Molecular Mass
193.2489
Exact Mass
193.13274551
Charge
0
InChI
InChI=1S/C9H15N5/c1-13-2-4-14(5-3-13)9-6-8(10)11-7-12-9/h6-7H,2-5H2,1H3,(H2,10,11,12)
InChIKey
NBVLAXUVAVBGGR-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ncnc(c1)N
Isomeric Smiles
c1nc(cc(n1)N1CCN(CC1)C)N
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.4958875
LogD (pH = 7.4)
-0.022235403
Log P
0.364888
Molar Refractivity
58.5284
Polarizability
20.818304
Polar Surface Area
58.28
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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