amino-(2-methylphenyl)-oxoazanium

C7H9N2O+ — CID 91270249

IUPACamino-(2-methylphenyl)-oxoazanium
SMILESCc1ccccc1[N+](N)=O
InChIInChI=1S/C7H9N2O/c1-6-4-2-3-5-7(6)9(8)10/h2-5H,1H3,(H2,8,10)/q+1
InChIKeyKHJLWMSKVGWEDF-UHFFFAOYSA-N
MW137.16 g/mol
LogP1.28
Rot. Bonds1

About amino-(2-methylphenyl)-oxoazanium

amino-(2-methylphenyl)-oxoazanium (PubChem CID 91270249) has the molecular formula C7H9N2O+ and a molecular weight of 137.16 g/mol. Its IUPAC name is amino-(2-methylphenyl)-oxoazanium.

Molecular Properties

Compound Nameamino-(2-methylphenyl)-oxoazanium
PubChem CID91270249
Molecular FormulaC7H9N2O+
Molecular Weight137.16 g/mol
Exact Mass137.07
IUPAC Nameamino-(2-methylphenyl)-oxoazanium
SMILESCc1ccccc1[N+](N)=O
InChIInChI=1S/C7H9N2O/c1-6-4-2-3-5-7(6)9(8)10/h2-5H,1H3,(H2,8,10)/q+1
InChIKeyKHJLWMSKVGWEDF-UHFFFAOYSA-N
XLogP1.28
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze amino-(2-methylphenyl)-oxoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-nitrobenzene;2-methylpropan-1-amine
CID 22279203
1-methyl-3-nitro-2-phenylbenzene
CID 12733092
1,2-xylene
CID 173422016
1-methyl-2-nitrobenzene;prop-2-enoic acid
CID 159952950
hydrazine;1,2-xylene;dihydrochloride
CID 172851293
1,2-xylene;trihydrochloride
CID 70594732
benzene;1,2-xylene
CID 161464493
silver;1,2-xylene
CID 158486133
vanadium;1,2-xylene
CID 143581691
1,2-xylene;zirconium
CID 174354618
1,2-xylene;tetrahydrobromide
CID 172843014
azane;1,2-xylene
CID 174280305

Frequently Asked Questions

What is the IUPAC name of amino-(2-methylphenyl)-oxoazanium?
The IUPAC name of amino-(2-methylphenyl)-oxoazanium (CID 91270249) is amino-(2-methylphenyl)-oxoazanium.
What is the SMILES notation for amino-(2-methylphenyl)-oxoazanium?
The canonical SMILES for amino-(2-methylphenyl)-oxoazanium is Cc1ccccc1[N+](N)=O.
What is the InChIKey of amino-(2-methylphenyl)-oxoazanium?
The InChIKey is KHJLWMSKVGWEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2O/c1-6-4-2-3-5-7(6)9(8)10/h2-5H,1H3,(H2,8,10)/q+1.
What are the key properties of amino-(2-methylphenyl)-oxoazanium?
amino-(2-methylphenyl)-oxoazanium has a molecular weight of 137.16 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-methylphenyl)-oxoazanium is sourced from PubChem (CID 91270249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).