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

Formula:C17H18N9O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-fluorophenyl)methylideneamino]-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)-(3-fluorophenyl)methylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide
MolecularFormula	C17H18N9O2F
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cccc(F)c2)=O)c1CN1CCCC1
InChI	InChI=1S/C17H18FN9O2/c18-12-5-3-4-11(8-12)9-20-22-17(28)14-13(10-26-6-1-2-7-26)27(25-21-14)16-15(19)23-29-24-16/h3-5,8-9H,1-2,6-7,10H2,(H2,19,23)(H,22,28)
InChIK	AQAIMNLFOJJLGB-UHFFFAOYSA-N
TotalMolweight	399.389
Molweight	399.389
MonoisotopicMass	399.156749
CLogP	2.2641
CLogS	-1.966
H Acceptors	11
H Donors	2
TotalSurfaceArea	301.15
Relative PSA	0.39744
PolarSurfaceArea	140.35
Druglikeness	1.8745
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48276
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	6
Symmetricatoms	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	5
BasicNitrogens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments