4-[(Z)-[(4Z)-4-[(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)imino]butylidene]amino]-3-phenyl-1H-1,2,4-triazol-5-one

Formula:C20H18N8O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[(4Z)-4-[(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)imino]butylidene]amino]-3-phenyl-1H-1,2,4-triazol-5-one is a drug-like molecule.

MolName	4-[(Z)-[(4Z)-4-[(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)imino]butylidene]amino]-3-phenyl-1H-1,2,4-triazol-5-one
MolecularFormula	C20H18N8O2
Smiles	O=C(NN=C1c2ccccc2)N1/N=C\CC/C=N\N(C(c1ccccc1)=NN1)C1=O
InChI	InChI=1S/C20H18N8O2/c29-19-25-23-17(15-9-3-1-4-10-15)27(19)21-13-7-8-14-22-28-18(24-26-20(28)30)16-11-5-2-6-12-16/h1-6,9-14H,7-8H2,(H,25,29)(H,26,30)
InChIK	JIZNRIXKUBOICV-UHFFFAOYSA-N
TotalMolweight	402.417
Molweight	402.417
MonoisotopicMass	402.155272
CLogP	2.2912
CLogS	-5.794
H Acceptors	10
H Donors	2
TotalSurfaceArea	308.02
Relative PSA	0.3316
PolarSurfaceArea	114.12
Druglikeness	3.4035
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	17
StereoCon

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1 - 4-[(Z)-[(4Z)-4-[(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)imino]butylidene]amino]-3-phenyl-1H-1,2,4-triazol-5-one | 2 - 4-[(Z)-[(4Z)-4-[(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)imino]butylidene]amino]-3-phenyl-1H-1,2,4-triazol-5-one

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