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

C10H5N7S2 — CID 52898929

IUPAC3-pyridin-2-yl-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nnc3sc(-c4csnn4)nn23)nc1
InChIInChI=1S/C10H5N7S2/c1-2-4-11-6(3-1)8-13-14-10-17(8)15-9(19-10)7-5-18-16-12-7/h1-5H
InChIKeyQWWQTTXQFWRVQV-UHFFFAOYSA-N
MW287.33 g/mol
LogP1.77
Rot. Bonds2

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

3-pyridin-2-yl-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 52898929) has the molecular formula C10H5N7S2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-pyridin-2-yl-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-pyridin-2-yl-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID52898929
Molecular FormulaC10H5N7S2
Molecular Weight287.33 g/mol
Exact Mass287.00
IUPAC Name3-pyridin-2-yl-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nnc3sc(-c4csnn4)nn23)nc1
InChIInChI=1S/C10H5N7S2/c1-2-4-11-6(3-1)8-13-14-10-17(8)15-9(19-10)7-5-18-16-12-7/h1-5H
InChIKeyQWWQTTXQFWRVQV-UHFFFAOYSA-N
XLogP1.77
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-pyridin-2-yl-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 52898929) is 3-pyridin-2-yl-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-pyridin-2-yl-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-pyridin-2-yl-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc(-c2nnc3sc(-c4csnn4)nn23)nc1.
What is the InChIKey of 3-pyridin-2-yl-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is QWWQTTXQFWRVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N7S2/c1-2-4-11-6(3-1)8-13-14-10-17(8)15-9(19-10)7-5-18-16-12-7/h1-5H.
What are the key properties of 3-pyridin-2-yl-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-pyridin-2-yl-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 287.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-6-(thiadiazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 52898929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).