5-iodo-6-(triazol-1-yl)pyridin-3-amine

C7H6IN5 — CID 133054562

IUPAC5-iodo-6-(triazol-1-yl)pyridin-3-amine
SMILESNc1cnc(-n2ccnn2)c(I)c1
InChIInChI=1S/C7H6IN5/c8-6-3-5(9)4-10-7(6)13-2-1-11-12-13/h1-4H,9H2
InChIKeyOONQAFYVZFIVIU-UHFFFAOYSA-N
MW287.06 g/mol
LogP0.85
Rot. Bonds1

About 5-iodo-6-(triazol-1-yl)pyridin-3-amine

5-iodo-6-(triazol-1-yl)pyridin-3-amine (PubChem CID 133054562) has the molecular formula C7H6IN5 and a molecular weight of 287.06 g/mol. Its IUPAC name is 5-iodo-6-(triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-iodo-6-(triazol-1-yl)pyridin-3-amine
PubChem CID133054562
Molecular FormulaC7H6IN5
Molecular Weight287.06 g/mol
Exact Mass286.97
IUPAC Name5-iodo-6-(triazol-1-yl)pyridin-3-amine
SMILESNc1cnc(-n2ccnn2)c(I)c1
InChIInChI=1S/C7H6IN5/c8-6-3-5(9)4-10-7(6)13-2-1-11-12-13/h1-4H,9H2
InChIKeyOONQAFYVZFIVIU-UHFFFAOYSA-N
XLogP0.85
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(triazol-1-yl)pyridin-3-amine?
The IUPAC name of 5-iodo-6-(triazol-1-yl)pyridin-3-amine (CID 133054562) is 5-iodo-6-(triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-iodo-6-(triazol-1-yl)pyridin-3-amine?
The canonical SMILES for 5-iodo-6-(triazol-1-yl)pyridin-3-amine is Nc1cnc(-n2ccnn2)c(I)c1.
What is the InChIKey of 5-iodo-6-(triazol-1-yl)pyridin-3-amine?
The InChIKey is OONQAFYVZFIVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN5/c8-6-3-5(9)4-10-7(6)13-2-1-11-12-13/h1-4H,9H2.
What are the key properties of 5-iodo-6-(triazol-1-yl)pyridin-3-amine?
5-iodo-6-(triazol-1-yl)pyridin-3-amine has a molecular weight of 287.06 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 133054562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).