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

Formula:C16H18N10O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide
MolecularFormula	C16H18N10O2
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cnccc2)=O)c1CN1CCCC1
InChI	InChI=1S/C16H18N10O2/c17-14-15(23-28-22-14)26-12(10-25-6-1-2-7-25)13(20-24-26)16(27)21-19-9-11-4-3-5-18-8-11/h3-5,8-9H,1-2,6-7,10H2,(H2,17,22)(H,21,27)
InChIK	IZRFGRDUGLDAKA-UHFFFAOYSA-N
TotalMolweight	382.387
Molweight	382.387
MonoisotopicMass	382.16142
CLogP	1.1624
CLogS	-0.857
H Acceptors	12
H Donors	2
TotalSurfaceArea	293.56
Relative PSA	0.44509
PolarSurfaceArea	153.24
Druglikeness	3.2145
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	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
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)-N-[(Z)-pyridin-3-ylmethylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide

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