5-N-[(Z)-(2-bromophenyl)methylideneamino]-9H-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-5,8-diamine

Formula:C12H11N8Br Mutagenic:none Tumorigenic:none Reproductive Effective:low 5-N-[(Z)-(2-bromophenyl)methylideneamino]-9H-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-5,8-diamine is a drug-like molecule.

MolName	5-N-[(Z)-(2-bromophenyl)methylideneamino]-9H-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-5,8-diamine
MolecularFormula	C12H11N8Br
Smiles	NC(C1)=NN=C(N/N=C\c(cccc2)c2Br)n2c1nnc2
InChI	InChI=1S/C12H11BrN8/c13-9-4-2-1-3-8(9)6-15-19-12-20-17-10(14)5-11-18-16-7-21(11)12/h1-4,6-7H,5H2,(H2,14,17)(H,19,20)
InChIK	UVCWNPNACYIYGL-UHFFFAOYSA-N
TotalMolweight	347.179
Molweight	347.179
MonoisotopicMass	346.029003
CLogP	2.7152
CLogS	-3.918
H Acceptors	8
H Donors	2
TotalSurfaceArea	229.31
Relative PSA	0.39279
PolarSurfaceArea	105.84
Druglikeness	2.3703
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Aromatic Nitrogens	3
BasicNitrogens	2
StereoCon

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1 - 5-N-[(Z)-(2-bromophenyl)methylideneamino]-9H-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-5,8-diamine | 2 - 5-N-[(Z)-(2-bromophenyl)methylideneamino]-9H-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-5,8-diamine

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