7227-92-1
C₈H₁₀N₄O₂·194.190 g/mol·CID 81648
IUPAC: N-methyl-N-[(4-nitrophenyl)diazenyl]methanamine
Also known as: RefChem:1065614, 3,3-Dimethyl-1-(4-nitrophenyl)-1-triazene, 1-(4-Nitrophenyl)-3,3-dimethyltriazene, N-methyl-N-[(4-nitrophenyl)diazenyl]methanamine, 1-(p-Nitrophenyl)-3,3-dimethyltriazine (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
194.190g/mol
Exact Mass
194.080376Da
Monoisotopic Mass
194.080376Da
XLogP
3.2
Polar Surface Area
73.8Ų
Complexity
216
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
5
Rotatable Bonds
2
Heavy Atoms
14
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 194.2 g/mol
MW ≤ 500
✓ 3.2
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 5
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C8H10N4O2/c1-11(2)10-9-7-3-5-8(6-4-7)12(13)14/h3-6H,1-2H3