5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide

C9H5BrN6OS — CID 4798185

IUPAC5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nn2cnnc2s1)c1cncc(Br)c1
InChIInChI=1S/C9H5BrN6OS/c10-6-1-5(2-11-3-6)7(17)13-8-15-16-4-12-14-9(16)18-8/h1-4H,(H,13,15,17)
InChIKeyTZWHSKXKQDBFSQ-UHFFFAOYSA-N
MW325.15 g/mol
LogP1.60
Rot. Bonds2

About 5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide

5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide (PubChem CID 4798185) has the molecular formula C9H5BrN6OS and a molecular weight of 325.15 g/mol. Its IUPAC name is 5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide
PubChem CID4798185
Molecular FormulaC9H5BrN6OS
Molecular Weight325.15 g/mol
Exact Mass323.94
IUPAC Name5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nn2cnnc2s1)c1cncc(Br)c1
InChIInChI=1S/C9H5BrN6OS/c10-6-1-5(2-11-3-6)7(17)13-8-15-16-4-12-14-9(16)18-8/h1-4H,(H,13,15,17)
InChIKeyTZWHSKXKQDBFSQ-UHFFFAOYSA-N
XLogP1.60
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide (CID 4798185) is 5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide is O=C(Nc1nn2cnnc2s1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide?
The InChIKey is TZWHSKXKQDBFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN6OS/c10-6-1-5(2-11-3-6)7(17)13-8-15-16-4-12-14-9(16)18-8/h1-4H,(H,13,15,17).
What are the key properties of 5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide?
5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide has a molecular weight of 325.15 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 4798185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).