Free Chemical Databases
-
[Synonyms]
NSC187569
84996-53-2
[Structure]
[ Properties Computed from Structure]
Molecular Weight 164.16462 [g/mol] Molecular Formula C7H8N4O XLogP 0.2 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 0 Exact Mass 164.069811 MonoIsotopic Mass 164.069811 Topological Polar Surface Area 49.3 Heavy Atom Count 12 Formal Charge 0 Complexity 188 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1,3-dimethylimidazo[4,5-b]pyrazin-2-one
Canonical SMILES: CN1C2=NC=CN=C2N(C1=O)C
InChI: InChI=1/C7H8N4O/c1-10-5-6(9-4-3-8-5)11(2)7(10)12/h3-4H,1-2H3
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