6-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazine-3,5-dione

Formula:C9H8N6O2 Mutagenic:low Tumorigenic:none Reproductive Effective:none 6-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazine-3,5-dione is a drug-like molecule.

MolName6-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-2H-1,2,4-triazine-3,5-dione
MolecularFormulaC9H8N6O2
SmilesO=C(C(N/N=C\c1ncccc1)=NN1)NC1=O
InChIInChI=1S/C9H8N6O2/c16-8-7(14-15-9(17)12-8)13-11-5-6-3-1-2-4-10-6/h1-5H,(H,13,14)(H2,12,15,16,17)
InChIKUXTPVFFBNCYOTL-UHFFFAOYSA-N
TotalMolweight232.203
Molweight232.203
MonoisotopicMass232.070874
CLogP-0.686
CLogS-2.398
H Acceptors8
H Donors3
TotalSurfaceArea176.13
Relative PSA0.53625
PolarSurfaceArea107.84
Druglikeness5.6134
Mutageniclow
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.70588
Fragments1
Non HAtoms17
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond2
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Amides1
Aromatic Nitrogens1
StereoCon

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