Molecule

ID:107994

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₆
Molecular Mass
150.14134
Exact Mass
150.06539422
Charge
0
InChI
InChI=1S/C5H6N6/c6-4-1-3-2-8-10-11(3)5(7)9-4/h1-2H,6H2,(H2,7,9)
InChIKey
ZZELEIKHPVZZAZ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2cnnn2c(n1)N
Isomeric Smiles
Nc1cc2cnnn2c(N)n1
Calculated Properties
JChem
Acid pKa
19.499014
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.4866497
LogD (pH = 7.4)
-0.45560274
Log P
-0.45519134
Molar Refractivity
51.7185
Polarizability
14.499178
Polar Surface Area
95.12
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
References
Bioactivity
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