3-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,2,4-triazole-3,4-diamine

Formula:C10H9N6O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,2,4-triazole-3,4-diamine is a drug-like molecule.

MolName	3-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,2,4-triazole-3,4-diamine
MolecularFormula	C10H9N6O2Br
Smiles	Nn1c(N/N=C\c(cc2OCOc2c2)c2Br)nnc1
InChI	InChI=1S/C10H9BrN6O2/c11-7-2-9-8(18-5-19-9)1-6(7)3-13-15-10-16-14-4-17(10)12/h1-4H,5,12H2,(H,15,16)
InChIK	WYWLSJULPVHFII-UHFFFAOYSA-N
TotalMolweight	325.125
Molweight	325.125
MonoisotopicMass	323.997035
CLogP	3.8394
CLogS	-6.299
H Acceptors	8
H Donors	2
TotalSurfaceArea	203.37
Relative PSA	0.42804
PolarSurfaceArea	99.58
Druglikeness	0.011465
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - 3-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,2,4-triazole-3,4-diamine | 2 - 3-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,2,4-triazole-3,4-diamine

Request More Details | 3-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,2,4-triazole-3,4-diamine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments