Molecule

ID:122661

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₄
Molecular Mass
190.24496
Exact Mass
190.12184647
Charge
0
InChI
InChI=1S/C10H14N4/c1-10(2,3)7-5-4-6-8(11)13-14-9(6)12-7/h4-5H,1-3H3,(H3,11,12,13,14)
InChIKey
RJHFLZIAJNHHMD-UHFFFAOYSA-N
Canonic Smiles
Nc1n[nH]c2c1ccc(n2)C(C)(C)C
Isomeric Smiles
c12c(c(n[nH]2)N)ccc(n1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
14.667051
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1406922
LogD (pH = 7.4)
2.1425123
Log P
2.1425354
Molar Refractivity
57.1766
Polarizability
21.49904
Polar Surface Area
67.59
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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