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

Formula:C20H25N9O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-3-phenylpropylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-3-phenylpropylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide
MolecularFormula	C20H25N9O2
Smiles	Nc1nonc1-n1nnc(C(N/N=C\CCc2ccccc2)=O)c1CN1CCCCC1
InChI	InChI=1S/C20H25N9O2/c21-18-19(26-31-25-18)29-16(14-28-12-5-2-6-13-28)17(23-27-29)20(30)24-22-11-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,11H,2,5-7,10,12-14H2,(H2,21,25)(H,24,30)
InChIK	RGQBZSBTYQKTKF-UHFFFAOYSA-N
TotalMolweight	423.48
Molweight	423.48
MonoisotopicMass	423.213121
CLogP	2.6469
CLogS	-2.079
H Acceptors	11
H Donors	2
TotalSurfaceArea	336.08
Relative PSA	0.35614
PolarSurfaceArea	140.35
Druglikeness	1.7896
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	9
Symmetricatoms	4
Amines	1
AlkylAmines	1
Aromatic Nitrogens	5
BasicNitrogens	1
StereoCon

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