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
Isomers8 compounds with formula C₈H₁₀N₄O₂
1,3,7-trimethylpurine-2,6-dione
CID 2519 · 194.2 g/mol
3-propyl-7H-purine-2,6-dione
CID 1676 · 194.2 g/mol
benzene-1,3-dicarbohydrazide
CID 72700 · 194.2 g/mol
1,3,9-trimethylpurine-2,6-dione
CID 1326 · 194.2 g/mol
2,4-dicyano-3-methylpentanediamide
CID 95498 · 194.2 g/mol
1,3,8-trimethyl-7H-purine-2,6-dione
CID 95030 · 194.2 g/mol
N-methyl-N-[(3-nitrophenyl)diazenyl]methanamine
CID 88426 · 194.2 g/mol
benzene-1,4-dicarbohydrazide
CID 67294 · 194.2 g/mol