2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate

C10H17F6N3PU- — CID 175527851

IUPAC2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[CH3-].[CH3-].[CH3-].[CH3-].[U+4].c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.4CH3.F6P.U/c1-2-4-6-5(3-1)7-9-8-6;;;;;1-7(2,3,4,5)6;/h1-4H,(H,7,8,9);4*1H3;;/q;5*-1;+4
InChIKeySGNHSUASDRJLSH-UHFFFAOYSA-N
MW562.26 g/mol
LogP6.14
Rot. Bonds

About 2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate

2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate (PubChem CID 175527851) has the molecular formula C10H17F6N3PU- and a molecular weight of 562.26 g/mol. Its IUPAC name is 2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate.

Molecular Properties

Compound Name2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate
PubChem CID175527851
Molecular FormulaC10H17F6N3PU-
Molecular Weight562.26 g/mol
Exact Mass562.16
IUPAC Name2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[CH3-].[CH3-].[CH3-].[CH3-].[U+4].c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.4CH3.F6P.U/c1-2-4-6-5(3-1)7-9-8-6;;;;;1-7(2,3,4,5)6;/h1-4H,(H,7,8,9);4*1H3;;/q;5*-1;+4
InChIKeySGNHSUASDRJLSH-UHFFFAOYSA-N
XLogP6.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.26
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate 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 2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate?
The IUPAC name of 2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate (CID 175527851) is 2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate.
What is the SMILES notation for 2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate?
The canonical SMILES for 2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate is F[P-](F)(F)(F)(F)F.[CH3-].[CH3-].[CH3-].[CH3-].[U+4].c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate?
The InChIKey is SGNHSUASDRJLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.4CH3.F6P.U/c1-2-4-6-5(3-1)7-9-8-6;;;;;1-7(2,3,4,5)6;/h1-4H,(H,7,8,9);4*1H3;;/q;5*-1;+4.
What are the key properties of 2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate?
2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate has a molecular weight of 562.26 g/mol, XLogP of 6.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate is sourced from PubChem (CID 175527851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).