phenyl(2H-triazol-4-yl)phosphane;hydroiodide

C8H9IN3P — CID 67764483

IUPACphenyl(2H-triazol-4-yl)phosphane;hydroiodide
SMILESI.c1ccc(Pc2cn[nH]n2)cc1
InChIInChI=1S/C8H8N3P.HI/c1-2-4-7(5-3-1)12-8-6-9-11-10-8;/h1-6,12H,(H,9,10,11);1H
InChIKeyJQNJIDMMPJNFFP-UHFFFAOYSA-N
MW305.06 g/mol
LogP1.05
Rot. Bonds2

About phenyl(2H-triazol-4-yl)phosphane;hydroiodide

phenyl(2H-triazol-4-yl)phosphane;hydroiodide (PubChem CID 67764483) has the molecular formula C8H9IN3P and a molecular weight of 305.06 g/mol. Its IUPAC name is phenyl(2H-triazol-4-yl)phosphane;hydroiodide.

Molecular Properties

Compound Namephenyl(2H-triazol-4-yl)phosphane;hydroiodide
PubChem CID67764483
Molecular FormulaC8H9IN3P
Molecular Weight305.06 g/mol
Exact Mass304.96
IUPAC Namephenyl(2H-triazol-4-yl)phosphane;hydroiodide
SMILESI.c1ccc(Pc2cn[nH]n2)cc1
InChIInChI=1S/C8H8N3P.HI/c1-2-4-7(5-3-1)12-8-6-9-11-10-8;/h1-6,12H,(H,9,10,11);1H
InChIKeyJQNJIDMMPJNFFP-UHFFFAOYSA-N
XLogP1.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.06
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl(2H-triazol-4-yl)phosphane;hydroiodide?
The IUPAC name of phenyl(2H-triazol-4-yl)phosphane;hydroiodide (CID 67764483) is phenyl(2H-triazol-4-yl)phosphane;hydroiodide.
What is the SMILES notation for phenyl(2H-triazol-4-yl)phosphane;hydroiodide?
The canonical SMILES for phenyl(2H-triazol-4-yl)phosphane;hydroiodide is I.c1ccc(Pc2cn[nH]n2)cc1.
What is the InChIKey of phenyl(2H-triazol-4-yl)phosphane;hydroiodide?
The InChIKey is JQNJIDMMPJNFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3P.HI/c1-2-4-7(5-3-1)12-8-6-9-11-10-8;/h1-6,12H,(H,9,10,11);1H.
What are the key properties of phenyl(2H-triazol-4-yl)phosphane;hydroiodide?
phenyl(2H-triazol-4-yl)phosphane;hydroiodide has a molecular weight of 305.06 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(2H-triazol-4-yl)phosphane;hydroiodide is sourced from PubChem (CID 67764483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).