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

C13H9N5OS — CID 52899556

IUPAC6-(2-methylfuran-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1occc1-c1nn2c(-c3cccnc3)nnc2s1
InChIInChI=1S/C13H9N5OS/c1-8-10(4-6-19-8)12-17-18-11(15-16-13(18)20-12)9-3-2-5-14-7-9/h2-7H,1H3
InChIKeyAALVPJMBKQFJJS-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.82
Rot. Bonds2

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

6-(2-methylfuran-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 52899556) has the molecular formula C13H9N5OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 6-(2-methylfuran-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-methylfuran-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID52899556
Molecular FormulaC13H9N5OS
Molecular Weight283.32 g/mol
Exact Mass283.05
IUPAC Name6-(2-methylfuran-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1occc1-c1nn2c(-c3cccnc3)nnc2s1
InChIInChI=1S/C13H9N5OS/c1-8-10(4-6-19-8)12-17-18-11(15-16-13(18)20-12)9-3-2-5-14-7-9/h2-7H,1H3
InChIKeyAALVPJMBKQFJJS-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 6-(2-methylfuran-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-methylfuran-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 52899556) is 6-(2-methylfuran-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-methylfuran-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-methylfuran-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1occc1-c1nn2c(-c3cccnc3)nnc2s1.
What is the InChIKey of 6-(2-methylfuran-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is AALVPJMBKQFJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS/c1-8-10(4-6-19-8)12-17-18-11(15-16-13(18)20-12)9-3-2-5-14-7-9/h2-7H,1H3.
What are the key properties of 6-(2-methylfuran-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2-methylfuran-3-yl)-3-pyridin-3-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 6-(2-methylfuran-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 52899556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).