Molecule

ID:61222

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N₅
Molecular Mass
255.31828
Exact Mass
255.14839557
Charge
0
InChI
InChI=1S/C14H17N5/c1-10-9-11(2)17-14(16-10)18-13(15)19(3)12-7-5-4-6-8-12/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKey
NQQWZJFQTDYYHY-UHFFFAOYSA-N
Canonic Smiles
N=C(N(c1ccccc1)C)Nc1nc(C)cc(n1)C
Isomeric Smiles
c1c(nc(nc1C)NC(=N)N(c1ccccc1)C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.0864123
LogD (pH = 7.4)
2.2351856
Log P
2.3202653
Molar Refractivity
88.5529
Polarizability
28.341412
Polar Surface Area
64.9
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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