6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C11H7ClN6OS — CID 56761383

IUPAC6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCn1ncc(Cl)c1-c1nn2c(-c3ccco3)nnc2s1
InChIInChI=1S/C11H7ClN6OS/c1-17-8(6(12)5-13-17)10-16-18-9(7-3-2-4-19-7)14-15-11(18)20-10/h2-5H,1H3
InChIKeyFMFPESVZTFNBKY-UHFFFAOYSA-N
MW306.74 g/mol
LogP2.50
Rot. Bonds2

About 6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 56761383) has the molecular formula C11H7ClN6OS and a molecular weight of 306.74 g/mol. Its IUPAC name is 6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID56761383
Molecular FormulaC11H7ClN6OS
Molecular Weight306.74 g/mol
Exact Mass306.01
IUPAC Name6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCn1ncc(Cl)c1-c1nn2c(-c3ccco3)nnc2s1
InChIInChI=1S/C11H7ClN6OS/c1-17-8(6(12)5-13-17)10-16-18-9(7-3-2-4-19-7)14-15-11(18)20-10/h2-5H,1H3
InChIKeyFMFPESVZTFNBKY-UHFFFAOYSA-N
XLogP2.50
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 56761383) is 6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cn1ncc(Cl)c1-c1nn2c(-c3ccco3)nnc2s1.
What is the InChIKey of 6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is FMFPESVZTFNBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN6OS/c1-17-8(6(12)5-13-17)10-16-18-9(7-3-2-4-19-7)14-15-11(18)20-10/h2-5H,1H3.
What are the key properties of 6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 306.74 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-1-methylpyrazol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 56761383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).