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

Formula:C12H11N8F Mutagenic:none Tumorigenic:none Reproductive Effective:low 5-N-[(Z)-(4-fluorophenyl)methylideneamino]-9H-[1,2,4]triazolo[1,5-d][1,2,4]triazepine-5,8-diamine is a drug-like molecule.

MolName	5-N-[(Z)-(4-fluorophenyl)methylideneamino]-9H-[1,2,4]triazolo[1,5-d][1,2,4]triazepine-5,8-diamine
MolecularFormula	C12H11N8F
Smiles	NC1=NN=C(N/N=C\c(cc2)ccc2F)n2ncnc2C1
InChI	InChI=1S/C12H11FN8/c13-9-3-1-8(2-4-9)6-16-19-12-20-18-10(14)5-11-15-7-17-21(11)12/h1-4,6-7H,5H2,(H2,14,18)(H,19,20)
InChIK	QOIASOKYWVTUKV-UHFFFAOYSA-N
TotalMolweight	286.273
Molweight	286.273
MonoisotopicMass	286.10907
CLogP	2.1267
CLogS	-3.929
H Acceptors	8
H Donors	2
TotalSurfaceArea	217.03
Relative PSA	0.41501
PolarSurfaceArea	105.84
Druglikeness	3.2585
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.61905
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
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	2
StereoCon

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

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