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

Formula:C15H17N9O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-furan-2-ylmethylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-furan-2-ylmethylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide
MolecularFormula	C15H17N9O3
Smiles	Nc1nonc1-n1nnc(CN2CCCC2)c1C(N/N=C\c1ccco1)=O
InChI	InChI=1S/C15H17N9O3/c16-13-14(21-27-20-13)24-12(11(18-22-24)9-23-5-1-2-6-23)15(25)19-17-8-10-4-3-7-26-10/h3-4,7-8H,1-2,5-6,9H2,(H2,16,20)(H,19,25)
InChIK	QDEIMPDLJUVXDM-UHFFFAOYSA-N
TotalMolweight	371.36
Molweight	371.36
MonoisotopicMass	371.145436
CLogP	1.352
CLogS	-1.334
H Acceptors	12
H Donors	2
TotalSurfaceArea	284.49
Relative PSA	0.47032
PolarSurfaceArea	153.49
Druglikeness	2.9871
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Symmetricatoms	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	5
BasicNitrogens	1
StereoCon

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