5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium

C8H7FN4 — CID 59526748

IUPAC5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium
SMILES[CH2-][NH+]1N=NC(c2ccc(F)cc2)=N1
InChIInChI=1S/C8H7FN4/c1-13-11-8(10-12-13)6-2-4-7(9)5-3-6/h2-5,13H,1H2
InChIKeyWXLSICIQALEZIG-UHFFFAOYSA-N
MW178.17 g/mol
LogP0.54
Rot. Bonds1

About 5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium

5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium (PubChem CID 59526748) has the molecular formula C8H7FN4 and a molecular weight of 178.17 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium
PubChem CID59526748
Molecular FormulaC8H7FN4
Molecular Weight178.17 g/mol
Exact Mass178.07
IUPAC Name5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium
SMILES[CH2-][NH+]1N=NC(c2ccc(F)cc2)=N1
InChIInChI=1S/C8H7FN4/c1-13-11-8(10-12-13)6-2-4-7(9)5-3-6/h2-5,13H,1H2
InChIKeyWXLSICIQALEZIG-UHFFFAOYSA-N
XLogP0.54
TPSA41.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium?
The IUPAC name of 5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium (CID 59526748) is 5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium?
The canonical SMILES for 5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium is [CH2-][NH+]1N=NC(c2ccc(F)cc2)=N1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium?
The InChIKey is WXLSICIQALEZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4/c1-13-11-8(10-12-13)6-2-4-7(9)5-3-6/h2-5,13H,1H2.
What are the key properties of 5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium?
5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium has a molecular weight of 178.17 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methanidyl-2H-tetrazol-2-ium is sourced from PubChem (CID 59526748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).