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

Formula:C17H20N10O2 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]triazole-4-carboxamide
MolecularFormula	C17H20N10O2
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2ncccc2)=O)c1CN1CCCCC1
InChI	InChI=1S/C17H20N10O2/c18-15-16(24-29-23-15)27-13(11-26-8-4-1-5-9-26)14(21-25-27)17(28)22-20-10-12-6-2-3-7-19-12/h2-3,6-7,10H,1,4-5,8-9,11H2,(H2,18,23)(H,22,28)
InChIK	BFLOCELDOUUNJA-UHFFFAOYSA-N
TotalMolweight	396.414
Molweight	396.414
MonoisotopicMass	396.17707
CLogP	1.5584
CLogS	-1.151
H Acceptors	12
H Donors	2
TotalSurfaceArea	307.32
Relative PSA	0.42516
PolarSurfaceArea	153.24
Druglikeness	1.7896
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Symmetricatoms	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	6
BasicNitrogens	1
StereoCon

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

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