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

Formula:C13H10N6S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-pyridin-3-yl-4-[(Z)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-pyridin-3-yl-4-[(Z)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C13H10N6S
Smiles	S=C(NN=C1c2cnccc2)N1/N=C\c1ccncc1
InChI	InChI=1S/C13H10N6S/c20-13-18-17-12(11-2-1-5-15-9-11)19(13)16-8-10-3-6-14-7-4-10/h1-9H,(H,18,20)
InChIK	FKDPNIUTIMEBHU-UHFFFAOYSA-N
TotalMolweight	282.33
Molweight	282.33
MonoisotopicMass	282.068764
CLogP	1.2932
CLogS	-2.861
H Acceptors	6
H Donors	1
TotalSurfaceArea	219.24
Relative PSA	0.40125
PolarSurfaceArea	97.86
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	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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