AI3-63016
C₆H₉N₃O₂·155.150 g/mol·CID 135465076
IUPAC: azanium (Z)-oxido-oxidoimino-phenylazanium
Also known as: Cupferon [Czech], Kupferron [Czech], N-Nitroso-N-phenylhydroxylamine, ammonium salt, CAS-135-20-6, CCRIS 184 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
155.150g/mol
Exact Mass
155.069477Da
Monoisotopic Mass
155.069477Da
XLogP
—
Polar Surface Area
65.2Ų
Complexity
130
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
1
Heavy Atoms
11
Stereo Centers
0
Bond Stereo
1
Drug-Likeness (Lipinski's Rule of Five)
✓ 155.2 g/mol
MW ≤ 500
? —
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,9H;1H3/b8-7-;
Isomers8 compounds with formula C₆H₉N₃O₂
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
CID 6274 · 155.2 g/mol
(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoate
CID 6971009 · 155.2 g/mol
(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
CID 71083 · 155.2 g/mol
4,6-dimethoxypyrimidin-2-amine
CID 118946 · 155.2 g/mol
2-amino-3-(1H-imidazol-5-yl)propanoic acid
CID 773 · 155.2 g/mol
azanium N-oxido-N-phenylnitrous amide
CID 2724103 · 155.2 g/mol
2,6-dimethoxypyrimidin-4-amine
CID 76789 · 155.2 g/mol
ethyl 5-amino-1H-pyrazole-4-carboxylate
CID 81472 · 155.2 g/mol