3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C10H9N5S — CID 2992190

IUPAC3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCc1nnc2sc(-c3ccccn3)nn12
InChIInChI=1S/C10H9N5S/c1-2-8-12-13-10-15(8)14-9(16-10)7-5-3-4-6-11-7/h3-6H,2H2,1H3
InChIKeyVHZBEDBKOOSRFO-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.81
Rot. Bonds2

About 3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 2992190) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID2992190
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCc1nnc2sc(-c3ccccn3)nn12
InChIInChI=1S/C10H9N5S/c1-2-8-12-13-10-15(8)14-9(16-10)7-5-3-4-6-11-7/h3-6H,2H2,1H3
InChIKeyVHZBEDBKOOSRFO-UHFFFAOYSA-N
XLogP1.81
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 2992190) is 3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCc1nnc2sc(-c3ccccn3)nn12.
What is the InChIKey of 3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is VHZBEDBKOOSRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-2-8-12-13-10-15(8)14-9(16-10)7-5-3-4-6-11-7/h3-6H,2H2,1H3.
What are the key properties of 3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 231.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 2992190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).