3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C9H8N4OS — CID 662524

IUPAC3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCC1=Nn2c(nnc2-c2ccco2)SC1
InChIInChI=1S/C9H8N4OS/c1-6-5-15-9-11-10-8(13(9)12-6)7-3-2-4-14-7/h2-4H,5H2,1H3
InChIKeyLIHGHLUTWVZBHP-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.87
Rot. Bonds1

About 3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 662524) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID662524
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCC1=Nn2c(nnc2-c2ccco2)SC1
InChIInChI=1S/C9H8N4OS/c1-6-5-15-9-11-10-8(13(9)12-6)7-3-2-4-14-7/h2-4H,5H2,1H3
InChIKeyLIHGHLUTWVZBHP-UHFFFAOYSA-N
XLogP1.87
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 662524) is 3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is CC1=Nn2c(nnc2-c2ccco2)SC1.
What is the InChIKey of 3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is LIHGHLUTWVZBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c1-6-5-15-9-11-10-8(13(9)12-6)7-3-2-4-14-7/h2-4H,5H2,1H3.
What are the key properties of 3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 220.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 662524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).