2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid

C9H9N3O3 — CID 105459905

IUPAC2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
SMILESCOc1ccn2c(CC(=O)O)nnc2c1
InChIInChI=1S/C9H9N3O3/c1-15-6-2-3-12-7(4-6)10-11-8(12)5-9(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyMEEUHWJRGMAICJ-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.37
Rot. Bonds3

About 2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid

2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid (PubChem CID 105459905) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
PubChem CID105459905
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
SMILESCOc1ccn2c(CC(=O)O)nnc2c1
InChIInChI=1S/C9H9N3O3/c1-15-6-2-3-12-7(4-6)10-11-8(12)5-9(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyMEEUHWJRGMAICJ-UHFFFAOYSA-N
XLogP0.37
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid (CID 105459905) is 2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid is COc1ccn2c(CC(=O)O)nnc2c1.
What is the InChIKey of 2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid?
The InChIKey is MEEUHWJRGMAICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-15-6-2-3-12-7(4-6)10-11-8(12)5-9(13)14/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid?
2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid has a molecular weight of 207.19 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 105459905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).