5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium

C3HF3N5+ — CID 58361891

IUPAC5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium
SMILESN#[N+]c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C3HF3N5/c4-3(5,6)1-8-2(9-7)11-10-1/h(H,8,10,11)/q+1
InChIKeyRRIKWPACMFGCFG-UHFFFAOYSA-N
MW164.07 g/mol
LogP1.31
Rot. Bonds

About 5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium

5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium (PubChem CID 58361891) has the molecular formula C3HF3N5+ and a molecular weight of 164.07 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium
PubChem CID58361891
Molecular FormulaC3HF3N5+
Molecular Weight164.07 g/mol
Exact Mass164.02
IUPAC Name5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium
SMILESN#[N+]c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C3HF3N5/c4-3(5,6)1-8-2(9-7)11-10-1/h(H,8,10,11)/q+1
InChIKeyRRIKWPACMFGCFG-UHFFFAOYSA-N
XLogP1.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.07
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium?
The IUPAC name of 5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium (CID 58361891) is 5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium.
What is the SMILES notation for 5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium?
The canonical SMILES for 5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium is N#[N+]c1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium?
The InChIKey is RRIKWPACMFGCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF3N5/c4-3(5,6)1-8-2(9-7)11-10-1/h(H,8,10,11)/q+1.
What are the key properties of 5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium?
5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium has a molecular weight of 164.07 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-1,2,4-triazole-3-diazonium is sourced from PubChem (CID 58361891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).