3-N-[(Z)-(4-bromophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine

Formula:C9H9N6Br Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-N-[(Z)-(4-bromophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine is a drug-like molecule.

MolName	3-N-[(Z)-(4-bromophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine
MolecularFormula	C9H9N6Br
Smiles	Nn1c(N/N=C\c(cc2)ccc2Br)nnc1
InChI	InChI=1S/C9H9BrN6/c10-8-3-1-7(2-4-8)5-12-14-9-15-13-6-16(9)11/h1-6H,11H2,(H,14,15)
InChIK	DVYLJPPVNNZDPG-UHFFFAOYSA-N
TotalMolweight	281.116
Molweight	281.116
MonoisotopicMass	280.007205
CLogP	3.728
CLogS	-5.588
H Acceptors	6
H Donors	2
TotalSurfaceArea	183.11
Relative PSA	0.36617
PolarSurfaceArea	81.12
Druglikeness	0.45714
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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