3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid

C9H13N3O2 — CID 83879292

IUPAC3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid
SMILESO=C(O)CCC1CCc2ncnn2C1
InChIInChI=1S/C9H13N3O2/c13-9(14)4-2-7-1-3-8-10-6-11-12(8)5-7/h6-7H,1-5H2,(H,13,14)
InChIKeyAJDMFWRWHQGEOH-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.71
Rot. Bonds3

About 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid

3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid (PubChem CID 83879292) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid
PubChem CID83879292
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid
SMILESO=C(O)CCC1CCc2ncnn2C1
InChIInChI=1S/C9H13N3O2/c13-9(14)4-2-7-1-3-8-10-6-11-12(8)5-7/h6-7H,1-5H2,(H,13,14)
InChIKeyAJDMFWRWHQGEOH-UHFFFAOYSA-N
XLogP0.71
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid?
The IUPAC name of 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid (CID 83879292) is 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid.
What is the SMILES notation for 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid?
The canonical SMILES for 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid is O=C(O)CCC1CCc2ncnn2C1.
What is the InChIKey of 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid?
The InChIKey is AJDMFWRWHQGEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9(14)4-2-7-1-3-8-10-6-11-12(8)5-7/h6-7H,1-5H2,(H,13,14).
What are the key properties of 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid?
3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid is sourced from PubChem (CID 83879292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).