Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 204.22848 [g/mol] Molecular Formula C10H12N4O XLogP 2.6 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 2 Tautomer Count 8 Exact Mass 204.101111 MonoIsotopic Mass 204.101111 Topological Polar Surface Area 65.9 Heavy Atom Count 15 Formal Charge 0 Complexity 429 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 7-but-2-enyl-3-methyl-1,2-dihydropyrazolo[4,5-d]pyridazin-4-one
Canonical SMILES: CC=CCC1=C2C(=C(NN2)C)C(=O)N=N1
InChI: InChI=1/C10H12N4O/c1-3-4-5-7-9-8(6(2)11-13-9)10(15)14-12-7/h3-4,11,13H,
5H2,1-2H3
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