methanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium

C9H12N3O2+ — CID 91239609

IUPACmethanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium
SMILESC#[N+]c1ccc(C)cc1[N+](=O)[O-].CN
InChIInChI=1S/C8H7N2O2.CH5N/c1-6-3-4-7(9-2)8(5-6)10(11)12;1-2/h2-5H,1H3;2H2,1H3/q+1;
InChIKeyNLNPYORBKYQLCY-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.07
Rot. Bonds1

About methanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium

methanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium (PubChem CID 91239609) has the molecular formula C9H12N3O2+ and a molecular weight of 194.21 g/mol. Its IUPAC name is methanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium.

Molecular Properties

Compound Namemethanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium
PubChem CID91239609
Molecular FormulaC9H12N3O2+
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Namemethanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium
SMILESC#[N+]c1ccc(C)cc1[N+](=O)[O-].CN
InChIInChI=1S/C8H7N2O2.CH5N/c1-6-3-4-7(9-2)8(5-6)10(11)12;1-2/h2-5H,1H3;2H2,1H3/q+1;
InChIKeyNLNPYORBKYQLCY-UHFFFAOYSA-N
XLogP2.07
TPSA73.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium?
The IUPAC name of methanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium (CID 91239609) is methanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium.
What is the SMILES notation for methanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium?
The canonical SMILES for methanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium is C#[N+]c1ccc(C)cc1[N+](=O)[O-].CN.
What is the InChIKey of methanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium?
The InChIKey is NLNPYORBKYQLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2O2.CH5N/c1-6-3-4-7(9-2)8(5-6)10(11)12;1-2/h2-5H,1H3;2H2,1H3/q+1;.
What are the key properties of methanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium?
methanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium has a molecular weight of 194.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methylidyne-(4-methyl-2-nitrophenyl)azanium is sourced from PubChem (CID 91239609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).