SMILES:
CC1(C)CCn2c(nc(-c3ccncn3)cc2=O)N1Molecular Processing
Molecular formula
C13H15N5O
Molecular weight
257.3
Exact mass
257.1277
XLogP
1.29
TPSA
72.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
71.84
Supplementary Information
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