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

C13H9N5OS — CID 3163965

IUPAC3-(2-methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1occc1-c1nnc2sc(-c3ccccn3)nn12
InChIInChI=1S/C13H9N5OS/c1-8-9(5-7-19-8)11-15-16-13-18(11)17-12(20-13)10-4-2-3-6-14-10/h2-7H,1H3
InChIKeyOPBGGVVIKSCVEQ-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.82
Rot. Bonds2

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

3-(2-methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 3163965) has the molecular formula C13H9N5OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-(2-methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(2-methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID3163965
Molecular FormulaC13H9N5OS
Molecular Weight283.32 g/mol
Exact Mass283.05
IUPAC Name3-(2-methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1occc1-c1nnc2sc(-c3ccccn3)nn12
InChIInChI=1S/C13H9N5OS/c1-8-9(5-7-19-8)11-15-16-13-18(11)17-12(20-13)10-4-2-3-6-14-10/h2-7H,1H3
InChIKeyOPBGGVVIKSCVEQ-UHFFFAOYSA-N
XLogP2.82
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(2-methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 3163965) is 3-(2-methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(2-methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(2-methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1occc1-c1nnc2sc(-c3ccccn3)nn12.
What is the InChIKey of 3-(2-methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is OPBGGVVIKSCVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS/c1-8-9(5-7-19-8)11-15-16-13-18(11)17-12(20-13)10-4-2-3-6-14-10/h2-7H,1H3.
What are the key properties of 3-(2-methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(2-methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 283.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 3163965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).