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

C9H12FN3O2 — CID 83964848

IUPAC3-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2n(n1)CCCC2F
InChIInChI=1S/C9H12FN3O2/c10-6-2-1-5-13-9(6)11-7(12-13)3-4-8(14)15/h6H,1-5H2,(H,14,15)
InChIKeyOWXCXWLOXKANSP-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.10
Rot. Bonds3

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

3-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid (PubChem CID 83964848) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
PubChem CID83964848
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name3-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2n(n1)CCCC2F
InChIInChI=1S/C9H12FN3O2/c10-6-2-1-5-13-9(6)11-7(12-13)3-4-8(14)15/h6H,1-5H2,(H,14,15)
InChIKeyOWXCXWLOXKANSP-UHFFFAOYSA-N
XLogP1.10
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid?
The IUPAC name of 3-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid (CID 83964848) is 3-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 3-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid?
The canonical SMILES for 3-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid is O=C(O)CCc1nc2n(n1)CCCC2F.
What is the InChIKey of 3-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid?
The InChIKey is OWXCXWLOXKANSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c10-6-2-1-5-13-9(6)11-7(12-13)3-4-8(14)15/h6H,1-5H2,(H,14,15).
What are the key properties of 3-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid?
3-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid has a molecular weight of 213.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 83964848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).