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

C11H17N3O2 — CID 83891217

IUPAC3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid
SMILESCCc1nc2n(n1)CC(CCC(=O)O)CC2
InChIInChI=1S/C11H17N3O2/c1-2-9-12-10-5-3-8(4-6-11(15)16)7-14(10)13-9/h8H,2-7H2,1H3,(H,15,16)
InChIKeyRUZYBZJPYCOKNU-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.27
Rot. Bonds4

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

3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid (PubChem CID 83891217) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid
PubChem CID83891217
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid
SMILESCCc1nc2n(n1)CC(CCC(=O)O)CC2
InChIInChI=1S/C11H17N3O2/c1-2-9-12-10-5-3-8(4-6-11(15)16)7-14(10)13-9/h8H,2-7H2,1H3,(H,15,16)
InChIKeyRUZYBZJPYCOKNU-UHFFFAOYSA-N
XLogP1.27
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid?
The IUPAC name of 3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid (CID 83891217) is 3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid.
What is the SMILES notation for 3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid?
The canonical SMILES for 3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid is CCc1nc2n(n1)CC(CCC(=O)O)CC2.
What is the InChIKey of 3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid?
The InChIKey is RUZYBZJPYCOKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-9-12-10-5-3-8(4-6-11(15)16)7-14(10)13-9/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid?
3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid is sourced from PubChem (CID 83891217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).