6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C11H6N6S2 — CID 4902357

IUPAC6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1csc(-c2nnc3sc(-c4cnccn4)nn23)c1
InChIInChI=1S/C11H6N6S2/c1-2-8(18-5-1)9-14-15-11-17(9)16-10(19-11)7-6-12-3-4-13-7/h1-6H
InChIKeyRODWITOYJFIUKJ-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.37
Rot. Bonds2

About 6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 4902357) has the molecular formula C11H6N6S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID4902357
Molecular FormulaC11H6N6S2
Molecular Weight286.35 g/mol
Exact Mass286.01
IUPAC Name6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1csc(-c2nnc3sc(-c4cnccn4)nn23)c1
InChIInChI=1S/C11H6N6S2/c1-2-8(18-5-1)9-14-15-11-17(9)16-10(19-11)7-6-12-3-4-13-7/h1-6H
InChIKeyRODWITOYJFIUKJ-UHFFFAOYSA-N
XLogP2.37
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 4902357) is 6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1csc(-c2nnc3sc(-c4cnccn4)nn23)c1.
What is the InChIKey of 6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is RODWITOYJFIUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N6S2/c1-2-8(18-5-1)9-14-15-11-17(9)16-10(19-11)7-6-12-3-4-13-7/h1-6H.
What are the key properties of 6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 286.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazin-2-yl-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 4902357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).