2-(4-nitrophenyl)tetrazole

C7H5N5O2 — CID 533883

IUPAC2-(4-nitrophenyl)tetrazole
SMILESO=[N+]([O-])c1ccc(-n2ncnn2)cc1
InChIInChI=1S/C7H5N5O2/c13-12(14)7-3-1-6(2-4-7)11-9-5-8-10-11/h1-5H
InChIKeyNJLAQWFIXLFBKW-UHFFFAOYSA-N
MW191.15 g/mol
LogP0.57
Rot. Bonds2

About 2-(4-nitrophenyl)tetrazole

2-(4-nitrophenyl)tetrazole (PubChem CID 533883) has the molecular formula C7H5N5O2 and a molecular weight of 191.15 g/mol. Its IUPAC name is 2-(4-nitrophenyl)tetrazole.

Molecular Properties

Compound Name2-(4-nitrophenyl)tetrazole
PubChem CID533883
Molecular FormulaC7H5N5O2
Molecular Weight191.15 g/mol
Exact Mass191.04
IUPAC Name2-(4-nitrophenyl)tetrazole
SMILESO=[N+]([O-])c1ccc(-n2ncnn2)cc1
InChIInChI=1S/C7H5N5O2/c13-12(14)7-3-1-6(2-4-7)11-9-5-8-10-11/h1-5H
InChIKeyNJLAQWFIXLFBKW-UHFFFAOYSA-N
XLogP0.57
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-nitrophenyl)tetrazole 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 2-(4-nitrophenyl)tetrazole?
The IUPAC name of 2-(4-nitrophenyl)tetrazole (CID 533883) is 2-(4-nitrophenyl)tetrazole.
What is the SMILES notation for 2-(4-nitrophenyl)tetrazole?
The canonical SMILES for 2-(4-nitrophenyl)tetrazole is O=[N+]([O-])c1ccc(-n2ncnn2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)tetrazole?
The InChIKey is NJLAQWFIXLFBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O2/c13-12(14)7-3-1-6(2-4-7)11-9-5-8-10-11/h1-5H.
What are the key properties of 2-(4-nitrophenyl)tetrazole?
2-(4-nitrophenyl)tetrazole has a molecular weight of 191.15 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)tetrazole is sourced from PubChem (CID 533883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).