4-[(Z)-benzylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Formula:C14H11N5S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-benzylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-benzylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C14H11N5S
Smiles	S=C(NN=C1c2ccncc2)N1/N=C\c1ccccc1
InChI	InChI=1S/C14H11N5S/c20-14-18-17-13(12-6-8-15-9-7-12)19(14)16-10-11-4-2-1-3-5-11/h1-10H,(H,18,20)
InChIK	OJQGCXWAUSDJNL-UHFFFAOYSA-N
TotalMolweight	281.342
Molweight	281.342
MonoisotopicMass	281.073515
CLogP	2.2941
CLogS	-3.656
H Acceptors	5
H Donors	1
TotalSurfaceArea	220.48
Relative PSA	0.34924
PolarSurfaceArea	84.97
Druglikeness	3.5915
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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