6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H8IN5S — CID 24824940

IUPAC6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESIc1ccccc1-c1nn2c(-c3ccccn3)nnc2s1
InChIInChI=1S/C14H8IN5S/c15-10-6-2-1-5-9(10)13-19-20-12(17-18-14(20)21-13)11-7-3-4-8-16-11/h1-8H
InChIKeyCAMFXZZTRDFOAX-UHFFFAOYSA-N
MW405.22 g/mol
LogP3.52
Rot. Bonds2

About 6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 24824940) has the molecular formula C14H8IN5S and a molecular weight of 405.22 g/mol. Its IUPAC name is 6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID24824940
Molecular FormulaC14H8IN5S
Molecular Weight405.22 g/mol
Exact Mass404.95
IUPAC Name6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESIc1ccccc1-c1nn2c(-c3ccccn3)nnc2s1
InChIInChI=1S/C14H8IN5S/c15-10-6-2-1-5-9(10)13-19-20-12(17-18-14(20)21-13)11-7-3-4-8-16-11/h1-8H
InChIKeyCAMFXZZTRDFOAX-UHFFFAOYSA-N
XLogP3.52
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.22
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 24824940) is 6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Ic1ccccc1-c1nn2c(-c3ccccn3)nnc2s1.
What is the InChIKey of 6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is CAMFXZZTRDFOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8IN5S/c15-10-6-2-1-5-9(10)13-19-20-12(17-18-14(20)21-13)11-7-3-4-8-16-11/h1-8H.
What are the key properties of 6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 405.22 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-iodophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 24824940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).