5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

C10H6IN5O — CID 62945471

IUPAC5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESIc1ccccc1-c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C10H6IN5O/c11-7-4-2-1-3-6(7)10-14-9(16-17-10)8-12-5-13-15-8/h1-5H,(H,12,13,15)
InChIKeyPXQFJNFPAQPQIO-UHFFFAOYSA-N
MW339.10 g/mol
LogP2.13
Rot. Bonds2

About 5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 62945471) has the molecular formula C10H6IN5O and a molecular weight of 339.10 g/mol. Its IUPAC name is 5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID62945471
Molecular FormulaC10H6IN5O
Molecular Weight339.10 g/mol
Exact Mass338.96
IUPAC Name5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESIc1ccccc1-c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C10H6IN5O/c11-7-4-2-1-3-6(7)10-14-9(16-17-10)8-12-5-13-15-8/h1-5H,(H,12,13,15)
InChIKeyPXQFJNFPAQPQIO-UHFFFAOYSA-N
XLogP2.13
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 52.13
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-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 62945471) is 5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is Ic1ccccc1-c1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is PXQFJNFPAQPQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6IN5O/c11-7-4-2-1-3-6(7)10-14-9(16-17-10)8-12-5-13-15-8/h1-5H,(H,12,13,15).
What are the key properties of 5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 339.10 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 62945471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).