Molecule

ID:51382

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₆
Molecular Mass
150.14134
Exact Mass
150.06539422
Charge
0
InChI
InChI=1S/C5H6N6/c6-3-1-2-8-5-9-4(7)10-11(3)5/h1-2H,6H2,(H2,7,10)
InChIKey
OHGSMAZJGDEVOT-UHFFFAOYSA-N
Canonic Smiles
Nc1nc2n(n1)c(N)ccn2
Isomeric Smiles
n12c(nc(n1)N)nccc2N
Calculated Properties
JChem
Acid pKa
14.822963
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.6772552
LogD (pH = 7.4)
-0.6772227
Log P
-0.6772223
Molar Refractivity
52.205
Polarizability
13.867319
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
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References
Bioactivity
Navigation
[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine|[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine|[1,2,4]Triazolo[1,5-a]pyrimidine-2,7-diamine | Molfinder