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WF8

Summary
Name:5-isopropylamino-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone
Formula:C15 H16 N6 O
Formal charge:0
Formula weight:296.327 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-phenyl-5-(propan-2-ylamino)-6-(1H-1,2,4-triazol-3-yl)pyridazin-3(2H)-one
OpenEye OEToolkits1.9.22-phenyl-5-(propan-2-ylamino)-6-(1H-1,2,4-triazol-3-yl)pyridazin-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2N(N=C(c1ncnn1)C(NC(C)C)=C2)c3ccccc3
InChIInChI1.03InChI=1S/C15H16N6O/c1-10(2)18-12-8-13(22)21(11-6-4-3-5-7-11)20-14(12)15-16-9-17-19-15/h3-10,18H,1-2H3,(H,16,17,19)
InChIKeyInChI1.03VZIFGHQBDGDZHH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)NC1=CC(=O)N(N=C1c2n[nH]cn2)c3ccccc3
SMILESCACTVS3.385CC(C)NC1=CC(=O)N(N=C1c2n[nH]cn2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(C)NC1=CC(=O)N(N=C1c2nc[nH]n2)c3ccccc3
SMILESOpenEye OEToolkits1.9.2CC(C)NC1=CC(=O)N(N=C1c2nc[nH]n2)c3ccccc3

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PDB entries from 2024-07-10

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