(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one

Formula:C25H19N5O Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one is a drug-like molecule.

MolName(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one
MolecularFormulaC25H19N5O
SmilesO=C1NNC(c2ccccc2)=N/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H19N5O/c31-25-22(26-24(27-28-25)19-12-6-2-7-13-19)16-20-17-30(21-14-8-3-9-15-21)29-23(20)18-10-4-1-5-11-18/h1-17H,(H,26,27)(H,28,31)
InChIKQRTBDEVRWUZRFP-UHFFFAOYSA-N
TotalMolweight405.46
Molweight405.46
MonoisotopicMass405.15896
CLogP2.0676
CLogS-5.533
H Acceptors6
H Donors2
TotalSurfaceArea315.35
Relative PSA0.2071
PolarSurfaceArea71.31
Druglikeness5.14
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48387
Fragments1
Non HAtoms31
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Symmetricatoms6
Aromatic Nitrogens2
BasicNitrogens1
StereoCon

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