3-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,4-triazole-3,4-diamine

Formula:C10H10N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,4-triazole-3,4-diamine is a drug-like molecule.

MolName	3-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,4-triazole-3,4-diamine
MolecularFormula	C10H10N6O2
Smiles	Nn1c(N/N=C\c(cc2)cc3c2OCO3)nnc1
InChI	InChI=1S/C10H10N6O2/c11-16-5-13-15-10(16)14-12-4-7-1-2-8-9(3-7)18-6-17-8/h1-5H,6,11H2,(H,14,15)
InChIK	HONWSBDTICMJHL-UHFFFAOYSA-N
TotalMolweight	246.229
Molweight	246.229
MonoisotopicMass	246.086524
CLogP	3.1142
CLogS	-5.465
H Acceptors	8
H Donors	2
TotalSurfaceArea	184.74
Relative PSA	0.4712
PolarSurfaceArea	99.58
Druglikeness	1.8015
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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1 - 3-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,4-triazole-3,4-diamine | 2 - 3-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,4-triazole-3,4-diamine

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