3-[(E)-furan-2-ylmethylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine

Formula:C8H7N7O Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-[(E)-furan-2-ylmethylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine is a drug-like molecule.

MolName	3-[(E)-furan-2-ylmethylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine
MolecularFormula	C8H7N7O
Smiles	Nn(cnn12)c2nnc1/N=C/c1ccco1
InChI	InChI=1S/C8H7N7O/c9-14-5-11-15-7(12-13-8(14)15)10-4-6-2-1-3-16-6/h1-5H,9H2
InChIK	LRSGCIDHHFGUQU-UHFFFAOYSA-N
TotalMolweight	217.192
Molweight	217.192
MonoisotopicMass	217.071208
CLogP	-0.4531
CLogS	-3.165
H Acceptors	8
H Donors	1
TotalSurfaceArea	166.72
Relative PSA	0.53155
PolarSurfaceArea	99.53
Druglikeness	1.5741
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	13
Sp3Atoms	1
Aromatic Nitrogens	5
BasicNitrogens	1
StereoCon

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