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

C14H9N5OS — CID 4888305

IUPAC6-[2-(furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESC(=Cc1nn2c(-c3ccncc3)nnc2s1)c1ccco1
InChIInChI=1S/C14H9N5OS/c1-2-11(20-9-1)3-4-12-18-19-13(16-17-14(19)21-12)10-5-7-15-8-6-10/h1-9H
InChIKeyNVDPUUDLHYLIRG-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.01
Rot. Bonds3

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

6-[2-(furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 4888305) has the molecular formula C14H9N5OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 6-[2-(furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[2-(furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID4888305
Molecular FormulaC14H9N5OS
Molecular Weight295.33 g/mol
Exact Mass295.05
IUPAC Name6-[2-(furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESC(=Cc1nn2c(-c3ccncc3)nnc2s1)c1ccco1
InChIInChI=1S/C14H9N5OS/c1-2-11(20-9-1)3-4-12-18-19-13(16-17-14(19)21-12)10-5-7-15-8-6-10/h1-9H
InChIKeyNVDPUUDLHYLIRG-UHFFFAOYSA-N
XLogP3.01
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylacetamide
CID 1154984
4-(5-Furan-2-yl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-pyridine
CID 647418
Phenyl [3-(3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl ether
CID 662380
6-(Furan-2-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662730
6-(Phenoxymethyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663133
3-(2-Furyl)-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665718
3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazole
CID 662653
3-[4-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine
CID 5389585
3-[5-Furan-2-yl-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-pyridine
CID 646468
4-{4-(2-furylmethyl)-5-[(3-phenyl-2-propen-1-yl)thio]-4H-1,2,4-triazol-3-yl}pyridine
CID 2218985
4-[[4-Benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 46224991
3-(furan-2-yl)-6-[(E)-3-pyridin-3-ylprop-2-enyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 137635977

Frequently Asked Questions

What is the IUPAC name of 6-[2-(furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[2-(furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 4888305) is 6-[2-(furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[2-(furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[2-(furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C(=Cc1nn2c(-c3ccncc3)nnc2s1)c1ccco1.
What is the InChIKey of 6-[2-(furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is NVDPUUDLHYLIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5OS/c1-2-11(20-9-1)3-4-12-18-19-13(16-17-14(19)21-12)10-5-7-15-8-6-10/h1-9H.
What are the key properties of 6-[2-(furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[2-(furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 295.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(furan-2-yl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 4888305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).