2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

Formula:C10H10N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.

MolName2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
MolecularFormulaC10H10N6O3S
SmilesO=C(CNC(C(N1)=O)=NNC1=O)N/N=C\c1cccs1
InChIInChI=1S/C10H10N6O3S/c17-7(14-12-4-6-2-1-3-20-6)5-11-8-9(18)13-10(19)16-15-8/h1-4H,5H2,(H,11,15)(H,14,17)(H2,13,16,18,19)
InChIKRWZISEVUSBFCGE-UHFFFAOYSA-N
TotalMolweight294.294
Molweight294.294
MonoisotopicMass294.053509
CLogP-0.7888
CLogS-2.946
H Acceptors9
H Donors4
TotalSurfaceArea216.28
Relative PSA0.5934
PolarSurfaceArea152.29
Druglikeness8.2468
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.7
Fragments1
Non HAtoms20
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms5
Sp3Atoms1
Amides1
StereoCon

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