6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H9N5S — CID 932337

IUPAC6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1
InChIInChI=1S/C14H9N5S/c1-2-6-10(7-3-1)13-18-19-12(16-17-14(19)20-13)11-8-4-5-9-15-11/h1-9H
InChIKeyHMGTVNDFIIYBIR-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.91
Rot. Bonds2

About 6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 932337) has the molecular formula C14H9N5S and a molecular weight of 279.33 g/mol. Its IUPAC name is 6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID932337
Molecular FormulaC14H9N5S
Molecular Weight279.33 g/mol
Exact Mass279.06
IUPAC Name6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1
InChIInChI=1S/C14H9N5S/c1-2-6-10(7-3-1)13-18-19-12(16-17-14(19)20-13)11-8-4-5-9-15-11/h1-9H
InChIKeyHMGTVNDFIIYBIR-UHFFFAOYSA-N
XLogP2.91
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 932337) is 6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1.
What is the InChIKey of 6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is HMGTVNDFIIYBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5S/c1-2-6-10(7-3-1)13-18-19-12(16-17-14(19)20-13)11-8-4-5-9-15-11/h1-9H.
What are the key properties of 6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 279.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 932337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).