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

C12H7N5OS — CID 662730

IUPAC6-(furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1cncc(-c2nnc3sc(-c4ccco4)nn23)c1
InChIInChI=1S/C12H7N5OS/c1-3-8(7-13-5-1)10-14-15-12-17(10)16-11(19-12)9-4-2-6-18-9/h1-7H
InChIKeyAYRYNPXUSBHPEP-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.51
Rot. Bonds2

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

6-(furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 662730) has the molecular formula C12H7N5OS and a molecular weight of 269.29 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID662730
Molecular FormulaC12H7N5OS
Molecular Weight269.29 g/mol
Exact Mass269.04
IUPAC Name6-(furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1cncc(-c2nnc3sc(-c4ccco4)nn23)c1
InChIInChI=1S/C12H7N5OS/c1-3-8(7-13-5-1)10-14-15-12-17(10)16-11(19-12)9-4-2-6-18-9/h1-7H
InChIKeyAYRYNPXUSBHPEP-UHFFFAOYSA-N
XLogP2.51
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 662730) is 6-(furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1cncc(-c2nnc3sc(-c4ccco4)nn23)c1.
What is the InChIKey of 6-(furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is AYRYNPXUSBHPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5OS/c1-3-8(7-13-5-1)10-14-15-12-17(10)16-11(19-12)9-4-2-6-18-9/h1-7H.
What are the key properties of 6-(furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 269.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 662730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).