4-[(Z)-benzylideneamino]-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione

Formula:C15H19N5S Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[(Z)-benzylideneamino]-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione is a drug-like molecule.

MolName	4-[(Z)-benzylideneamino]-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione
MolecularFormula	C15H19N5S
Smiles	S=C(N(CN1CCCCC1)N=C1)N1/N=C\c1ccccc1
InChI	InChI=1S/C15H19N5S/c21-15-19(16-11-14-7-3-1-4-8-14)12-17-20(15)13-18-9-5-2-6-10-18/h1,3-4,7-8,11-12H,2,5-6,9-10,13H2
InChIK	QDSOTTGENMSKTC-UHFFFAOYSA-N
TotalMolweight	301.417
Molweight	301.417
MonoisotopicMass	301.136115
CLogP	2.5184
CLogS	-3.853
H Acceptors	5
TotalSurfaceArea	241.95
Relative PSA	0.25489
PolarSurfaceArea	66.53
Druglikeness	3.5316
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	methanediamine; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	4
BasicNitrogens	1
StereoCon

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