phenylphosphane;2H-triazole;hydroiodide

C8H11IN3P — CID 67764481

IUPACphenylphosphane;2H-triazole;hydroiodide
SMILESI.Pc1ccccc1.c1cn[nH]n1
InChIInChI=1S/C6H7P.C2H3N3.HI/c7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h1-5H,7H2;1-2H,(H,3,4,5);1H
InChIKeyQIDADDSDOBGAQZ-UHFFFAOYSA-N
MW307.08 g/mol
LogP1.61
Rot. Bonds

About phenylphosphane;2H-triazole;hydroiodide

phenylphosphane;2H-triazole;hydroiodide (PubChem CID 67764481) has the molecular formula C8H11IN3P and a molecular weight of 307.08 g/mol. Its IUPAC name is phenylphosphane;2H-triazole;hydroiodide.

Molecular Properties

Compound Namephenylphosphane;2H-triazole;hydroiodide
PubChem CID67764481
Molecular FormulaC8H11IN3P
Molecular Weight307.08 g/mol
Exact Mass306.97
IUPAC Namephenylphosphane;2H-triazole;hydroiodide
SMILESI.Pc1ccccc1.c1cn[nH]n1
InChIInChI=1S/C6H7P.C2H3N3.HI/c7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h1-5H,7H2;1-2H,(H,3,4,5);1H
InChIKeyQIDADDSDOBGAQZ-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.08
LogP ≤ 51.61
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 phenylphosphane;2H-triazole;hydroiodide?
The IUPAC name of phenylphosphane;2H-triazole;hydroiodide (CID 67764481) is phenylphosphane;2H-triazole;hydroiodide.
What is the SMILES notation for phenylphosphane;2H-triazole;hydroiodide?
The canonical SMILES for phenylphosphane;2H-triazole;hydroiodide is I.Pc1ccccc1.c1cn[nH]n1.
What is the InChIKey of phenylphosphane;2H-triazole;hydroiodide?
The InChIKey is QIDADDSDOBGAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7P.C2H3N3.HI/c7-6-4-2-1-3-5-6;1-2-4-5-3-1;/h1-5H,7H2;1-2H,(H,3,4,5);1H.
What are the key properties of phenylphosphane;2H-triazole;hydroiodide?
phenylphosphane;2H-triazole;hydroiodide has a molecular weight of 307.08 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylphosphane;2H-triazole;hydroiodide is sourced from PubChem (CID 67764481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).