3-amino-N-[(Z)-[(Z)-3-bromo-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-carboxamide

Formula:C12H11N6OBr Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-amino-N-[(Z)-[(Z)-3-bromo-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-carboxamide is a drug-like molecule.

MolName	3-amino-N-[(Z)-[(Z)-3-bromo-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-carboxamide
MolecularFormula	C12H11N6OBr
Smiles	Nc1n[nH]c(C(N/N=C\C=C(\c2ccccc2)/Br)=O)n1
InChI	InChI=1S/C12H11BrN6O/c13-9(8-4-2-1-3-5-8)6-7-15-18-11(20)10-16-12(14)19-17-10/h1-7H,(H,18,20)(H3,14,16,17,19)
InChIK	LUSWKGGDNGNXER-UHFFFAOYSA-N
TotalMolweight	335.164
Molweight	335.164
MonoisotopicMass	334.01777
CLogP	0.9812
CLogS	-1.885
H Acceptors	7
H Donors	3
TotalSurfaceArea	225.94
Relative PSA	0.38599
PolarSurfaceArea	109.05
Druglikeness	0.56443
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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1 - 3-amino-N-[(Z)-[(Z)-3-bromo-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-carboxamide | 2 - 3-amino-N-[(Z)-[(Z)-3-bromo-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-carboxamide

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