1-hydroxy-5-iodotriazole

C2H2IN3O — CID 118247492

IUPAC1-hydroxy-5-iodotriazole
SMILESOn1nncc1I
InChIInChI=1S/C2H2IN3O/c3-2-1-4-5-6(2)7/h1,7H
InChIKeyBHRXLAUAMHJIIN-UHFFFAOYSA-N
MW210.96 g/mol
LogP0.12
Rot. Bonds

About 1-hydroxy-5-iodotriazole

1-hydroxy-5-iodotriazole (PubChem CID 118247492) has the molecular formula C2H2IN3O and a molecular weight of 210.96 g/mol. Its IUPAC name is 1-hydroxy-5-iodotriazole.

Molecular Properties

Compound Name1-hydroxy-5-iodotriazole
PubChem CID118247492
Molecular FormulaC2H2IN3O
Molecular Weight210.96 g/mol
Exact Mass210.92
IUPAC Name1-hydroxy-5-iodotriazole
SMILESOn1nncc1I
InChIInChI=1S/C2H2IN3O/c3-2-1-4-5-6(2)7/h1,7H
InChIKeyBHRXLAUAMHJIIN-UHFFFAOYSA-N
XLogP0.12
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.96
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-iodotriazole?
The IUPAC name of 1-hydroxy-5-iodotriazole (CID 118247492) is 1-hydroxy-5-iodotriazole.
What is the SMILES notation for 1-hydroxy-5-iodotriazole?
The canonical SMILES for 1-hydroxy-5-iodotriazole is On1nncc1I.
What is the InChIKey of 1-hydroxy-5-iodotriazole?
The InChIKey is BHRXLAUAMHJIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2IN3O/c3-2-1-4-5-6(2)7/h1,7H.
What are the key properties of 1-hydroxy-5-iodotriazole?
1-hydroxy-5-iodotriazole has a molecular weight of 210.96 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-iodotriazole is sourced from PubChem (CID 118247492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).