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

C11H7N5OS — CID 135915288

IUPAC3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1c[nH]c(-c2nn3c(-c4ccco4)nnc3s2)c1
InChIInChI=1S/C11H7N5OS/c1-3-7(12-5-1)10-15-16-9(8-4-2-6-17-8)13-14-11(16)18-10/h1-6,12H
InChIKeyLTMAUFULSATPJT-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.44
Rot. Bonds2

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

3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 135915288) has the molecular formula C11H7N5OS and a molecular weight of 257.28 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID135915288
Molecular FormulaC11H7N5OS
Molecular Weight257.28 g/mol
Exact Mass257.04
IUPAC Name3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1c[nH]c(-c2nn3c(-c4ccco4)nnc3s2)c1
InChIInChI=1S/C11H7N5OS/c1-3-7(12-5-1)10-15-16-9(8-4-2-6-17-8)13-14-11(16)18-10/h1-6,12H
InChIKeyLTMAUFULSATPJT-UHFFFAOYSA-N
XLogP2.44
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 135915288) is 3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1c[nH]c(-c2nn3c(-c4ccco4)nnc3s2)c1.
What is the InChIKey of 3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is LTMAUFULSATPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5OS/c1-3-7(12-5-1)10-15-16-9(8-4-2-6-17-8)13-14-11(16)18-10/h1-6,12H.
What are the key properties of 3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 257.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 135915288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).