8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C12H10ClN5O2S — CID 105393493

About 8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 105393493) has the molecular formula C12H10ClN5O2S and a molecular weight of 323.77 g/mol. Its IUPAC name is 8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
• PubChem CID: 105393493
• Molecular Formula: C12H10ClN5O2S
• Molecular Weight: 323.77 g/mol
• Exact Mass: 323.02
• IUPAC Name: 8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
• SMILES: CCCc1nnsc1-c1nnc2c(Cl)cc(C(=O)O)cn12
• InChI: InChI=1S/C12H10ClN5O2S/c1-2-3-8-9(21-17-14-8)11-16-15-10-7(13)4-6(12(19)20)5-18(10)11/h4-5H,2-3H2,1H3,(H,19,20)
• InChIKey: DBQGYFBUSLPHTA-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 93.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.77
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

The IUPAC name of 8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 105393493) is 8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

What is the SMILES notation for 8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

The canonical SMILES for 8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is CCCc1nnsc1-c1nnc2c(Cl)cc(C(=O)O)cn12.

What is the InChIKey of 8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

The InChIKey is DBQGYFBUSLPHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O2S/c1-2-3-8-9(21-17-14-8)11-16-15-10-7(13)4-6(12(19)20)5-18(10)11/h4-5H,2-3H2,1H3,(H,19,20).

What are the key properties of 8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?

8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 323.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-3-(4-propylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 105393493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).