1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide

Formula:C17H13N9O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide
MolecularFormula	C17H13N9O2
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cnccc2)=O)c1-c1ccccc1
InChI	InChI=1S/C17H13N9O2/c18-15-16(24-28-23-15)26-14(12-6-2-1-3-7-12)13(21-25-26)17(27)22-20-10-11-5-4-8-19-9-11/h1-10H,(H2,18,23)(H,22,27)
InChIK	JGEQWKCSFMPPTC-UHFFFAOYSA-N
TotalMolweight	375.351
Molweight	375.351
MonoisotopicMass	375.119221
CLogP	2.4447
CLogS	-2.411
H Acceptors	11
H Donors	2
TotalSurfaceArea	287.72
Relative PSA	0.44178
PolarSurfaceArea	150
Druglikeness	1.9983
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	2
Aromatic Nitrogens	6
StereoCon

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