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

C11H9N5O2S — CID 65207378

IUPAC3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCCc1nnsc1-c1nnc2ccc(C(=O)O)cn12
InChIInChI=1S/C11H9N5O2S/c1-2-7-9(19-15-12-7)10-14-13-8-4-3-6(11(17)18)5-16(8)10/h3-5H,2H2,1H3,(H,17,18)
InChIKeyDYEOBOAEGDZMCS-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.51
Rot. Bonds3

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

3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 65207378) has the molecular formula C11H9N5O2S and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID65207378
Molecular FormulaC11H9N5O2S
Molecular Weight275.29 g/mol
Exact Mass275.05
IUPAC Name3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCCc1nnsc1-c1nnc2ccc(C(=O)O)cn12
InChIInChI=1S/C11H9N5O2S/c1-2-7-9(19-15-12-7)10-14-13-8-4-3-6(11(17)18)5-16(8)10/h3-5H,2H2,1H3,(H,17,18)
InChIKeyDYEOBOAEGDZMCS-UHFFFAOYSA-N
XLogP1.51
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 9167414
[1,2,4]Triazolo[1,5-a]pyridine-6-carboxylic acid
CID 23438842
3-Methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 27375767
1-(propan-2-yl)-1H-pyrazolo(3,4-b)pyridine-5-carboxylic acid
CID 16227363
1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16227864
3-Phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 16767454
(1,2,4)Triazolo(4,3-a)pyridine-6-carboxylic acid
CID 44558558
3-(Difluoromethyl)-(1,2,4)triazolo(4,3-a)pyridine-6-carboxylic acid
CID 62388626
3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16777618
5-methyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-pyrazole-4-carboxylic acid
CID 53353083
5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-pyrazole-4-carboxylic acid
CID 53353084
3-Methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 16767501

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 65207378) is 3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is CCc1nnsc1-c1nnc2ccc(C(=O)O)cn12.
What is the InChIKey of 3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is DYEOBOAEGDZMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S/c1-2-7-9(19-15-12-7)10-14-13-8-4-3-6(11(17)18)5-16(8)10/h3-5H,2H2,1H3,(H,17,18).
What are the key properties of 3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 65207378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).