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

Formula:C12H12N6O Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-amino-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-carboxamide is a drug-like molecule.

MolName	3-amino-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-carboxamide
MolecularFormula	C12H12N6O
Smiles	Nc1n[nH]c(C(N/N=C\C=C\c2ccccc2)=O)n1
InChI	InChI=1S/C12H12N6O/c13-12-15-10(16-18-12)11(19)17-14-8-4-7-9-5-2-1-3-6-9/h1-8H,(H,17,19)(H3,13,15,16,18)
InChIK	JHUOTAODMQORPC-UHFFFAOYSA-N
TotalMolweight	256.268
Molweight	256.268
MonoisotopicMass	256.107259
CLogP	0.5715
CLogS	-2.594
H Acceptors	7
H Donors	3
TotalSurfaceArea	209.1
Relative PSA	0.41707
PolarSurfaceArea	109.05
Druglikeness	5.7318
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.73684
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
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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