5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

C7H9N3O2 — CID 82567808

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1CCn2ncnc2C1
InChIInChI=1S/C7H9N3O2/c11-7(12)5-1-2-10-6(3-5)8-4-9-10/h4-5H,1-3H2,(H,11,12)
InChIKeyCLBJSNQAXRBLHZ-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.07
Rot. Bonds1

About 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 82567808) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID82567808
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1CCn2ncnc2C1
InChIInChI=1S/C7H9N3O2/c11-7(12)5-1-2-10-6(3-5)8-4-9-10/h4-5H,1-3H2,(H,11,12)
InChIKeyCLBJSNQAXRBLHZ-UHFFFAOYSA-N
XLogP-0.07
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridine-6-carboxylic acid
CID 25219067
3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83866407
5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid hydrochloride
CID 117275408
5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid hydrochloride
CID 132372886
5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid hydrochloride
CID 137966063
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid hydrochloride
CID 154832850
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 82408557
5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83682556
2-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 83866004
3-[6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid
CID 83964829
3-(6-Fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 83964832
3-(8-Fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 83964848

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 82567808) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is O=C(O)C1CCn2ncnc2C1.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is CLBJSNQAXRBLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-7(12)5-1-2-10-6(3-5)8-4-9-10/h4-5H,1-3H2,(H,11,12).
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 82567808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).