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3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]triazole-4-carboxamide

Formula:C19H20N9O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]triazole-4-carboxamide is not a drug-like molecule.
MolName3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]triazole-4-carboxamide
MolecularFormulaC19H20N9O2F3
SmilesNc1nonc1-n1nnc(CN2CCCCC2)c1C(N/N=C\c1ccc(C(F)(F)F)cc1)=O
InChIInChI=1S/C19H20F3N9O2/c20-19(21,22)13-6-4-12(5-7-13)10-24-26-18(32)15-14(11-30-8-2-1-3-9-30)25-29-31(15)17-16(23)27-33-28-17/h4-7,10H,1-3,8-9,11H2,(H2,23,27)(H,26,32)
InChIKRGZDBWYVQMQDGZ-UHFFFAOYSA-N
TotalMolweight463.423
Molweight463.423
MonoisotopicMass463.169205
CLogP3.3536
CLogS-2.7
H Acceptors11
H Donors2
TotalSurfaceArea338.02
Relative PSA0.35409
PolarSurfaceArea140.35
Druglikeness-5.4004
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.51515
Fragments1
Non HAtoms33
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms8
Symmetricatoms6
Amines1
AlkylAmines1
Aromatic Nitrogens5
BasicNitrogens1
StereoCon

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