SMILES:
Cc1nc(N)n(C)n1Molecular Processing
Molecular formula
C4H8N4
Molecular weight
112.14
Exact mass
112.0749
XLogP
-0.29
TPSA
56.73
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
30.15
Supplementary Information
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