2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide

Formula:C13H11N6O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.

MolName	2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
MolecularFormula	C13H11N6O3F3
Smiles	O=C(CNC(C(N1)=O)=NNC1=O)N/N=C/c1c(C(F)(F)F)cccc1
InChI	InChI=1S/C13H11F3N6O3/c14-13(15,16)8-4-2-1-3-7(8)5-18-20-9(23)6-17-10-11(24)19-12(25)22-21-10/h1-5H,6H2,(H,17,21)(H,20,23)(H2,19,22,24,25)
InChIK	RGJFQPZNXFVRMG-UHFFFAOYSA-N
TotalMolweight	356.263
Molweight	356.263
MonoisotopicMass	356.084473
CLogP	0.1929
CLogS	-3.714
H Acceptors	9
H Donors	4
TotalSurfaceArea	249.8
Relative PSA	0.43227
PolarSurfaceArea	124.05
Druglikeness	-0.37213
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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1 - 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide

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