Molecule

ID:67352

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄
Molecular Mass
124.14382
Exact Mass
124.07489628
Charge
0
InChI
InChI=1S/C5H8N4/c1-2-9-5(3-6-1)7-4-8-9/h4,6H,1-3H2
InChIKey
DXJKRLHHCGXHMB-UHFFFAOYSA-N
Canonic Smiles
N1CCn2c(C1)ncn2
Isomeric Smiles
c12CNCCn1ncn2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9495451
LogD (pH = 7.4)
-0.88839597
Log P
-0.8254234
Molar Refractivity
44.7415
Polarizability
12.515079
Polar Surface Area
42.74
Rotatable Bonds
0
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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