6-tert-butyl-8-[(Z)-thiophen-2-ylmethylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

Formula:C13H14N6OS Mutagenic:none Tumorigenic:none Reproductive Effective:low 6-tert-butyl-8-[(Z)-thiophen-2-ylmethylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one is a drug-like molecule.

MolName	6-tert-butyl-8-[(Z)-thiophen-2-ylmethylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
MolecularFormula	C13H14N6OS
Smiles	CC(C)(C)C(C(N1/N=C\c2cccs2)=O)=Nn2c1nnc2
InChI	InChI=1S/C13H14N6OS/c1-13(2,3)10-11(20)19(12-16-14-8-18(12)17-10)15-7-9-5-4-6-21-9/h4-8H,1-3H3
InChIK	VSTOGFWVJBMJNI-UHFFFAOYSA-N
TotalMolweight	302.361
Molweight	302.361
MonoisotopicMass	302.094979
CLogP	2.5766
CLogS	-5.355
H Acceptors	7
TotalSurfaceArea	225.15
Relative PSA	0.39431
PolarSurfaceArea	103.98
Druglikeness	1.3976
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.47619
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

1 - 6-tert-butyl-8-[(Z)-thiophen-2-ylmethylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one | 2 - 6-tert-butyl-8-[(Z)-thiophen-2-ylmethylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

Request More Details | 6-tert-butyl-8-[(Z)-thiophen-2-ylmethylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments