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

Formula:C16H18N10O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide
MolecularFormula	C16H18N10O5
Smiles	Nc1nonc1-n1nnc(CN2CCCCC2)c1C(N/N=C\c1ccc([N+]([O-])=O)o1)=O
InChI	InChI=1S/C16H18N10O5/c17-14-15(22-31-21-14)25-13(11(19-23-25)9-24-6-2-1-3-7-24)16(27)20-18-8-10-4-5-12(30-10)26(28)29/h4-5,8H,1-3,6-7,9H2,(H2,17,21)(H,20,27)
InChIK	BCUFFUUPAJOJFK-UHFFFAOYSA-N
TotalMolweight	430.384
Molweight	430.384
MonoisotopicMass	430.146165
CLogP	0.1973
CLogS	-2.589
H Acceptors	15
H Donors	2
TotalSurfaceArea	321.92
Relative PSA	0.51013
PolarSurfaceArea	199.31
Druglikeness	-0.33072
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	8
Symmetricatoms	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	5
BasicNitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

Request More Details | 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments