Molecule

ID:89255

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃N₃
Molecular Mass
151.20892
Exact Mass
151.11094743
Charge
0
InChI
InChI=1S/C8H13N3/c1-8(2,3)6-4-7(9)11-5-10-6/h4-5H,1-3H3,(H2,9,10,11)
InChIKey
GVFMWHPJTZVYIF-UHFFFAOYSA-N
Canonic Smiles
CC(c1ncnc(c1)N)(C)C
Isomeric Smiles
n1cnc(cc1C(C)(C)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3491049
LogD (pH = 7.4)
1.7379372
Log P
1.7461736
Molar Refractivity
46.0301
Polarizability
16.958435
Polar Surface Area
51.8
Rotatable Bonds
1
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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