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

Formula:C15H11N9O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]-5-thiophen-2-yltriazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
MolecularFormula	C15H11N9O2S
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2ccncc2)=O)c1-c1cccs1
InChI	InChI=1S/C15H11N9O2S/c16-13-14(22-26-21-13)24-12(10-2-1-7-27-10)11(19-23-24)15(25)20-18-8-9-3-5-17-6-4-9/h1-8H,(H2,16,21)(H,20,25)
InChIK	ZBLGDRIZDBETGD-UHFFFAOYSA-N
TotalMolweight	381.379
Molweight	381.379
MonoisotopicMass	381.075641
CLogP	2.4682
CLogS	-2.332
H Acceptors	11
H Donors	2
TotalSurfaceArea	283.66
Relative PSA	0.51988
PolarSurfaceArea	178.24
Druglikeness	3.506
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	6
StereoCon

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