Molecule

ID:122288

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₅
Molecular Mass
233.31276
Exact Mass
233.16404563
Charge
0
InChI
InChI=1S/C12H19N5/c1-7-11(9(3)16(5)14-7)6-17-10(4)12(13)8(2)15-17/h6,13H2,1-5H3
InChIKey
YYDUOMZLYPAZKE-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1Cn1nc(c(c1C)N)C)C)C
Isomeric Smiles
n1(nc(c(c1C)N)C)Cc1c(n(nc1C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.38341042
LogD (pH = 7.4)
0.38633868
Log P
0.38637608
Molar Refractivity
92.6602
Polarizability
25.247406
Polar Surface Area
61.66
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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