2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid

C12H15N3O2 — CID 83866558

IUPAC2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid
SMILESCC(C)(C)c1nnc2c(CC(=O)O)cccn12
InChIInChI=1S/C12H15N3O2/c1-12(2,3)11-14-13-10-8(7-9(16)17)5-4-6-15(10)11/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyDKEZZUAWAXGOLJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.65
Rot. Bonds2

About 2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid

2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid (PubChem CID 83866558) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid.

Molecular Properties

Compound Name2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid
PubChem CID83866558
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid
SMILESCC(C)(C)c1nnc2c(CC(=O)O)cccn12
InChIInChI=1S/C12H15N3O2/c1-12(2,3)11-14-13-10-8(7-9(16)17)5-4-6-15(10)11/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyDKEZZUAWAXGOLJ-UHFFFAOYSA-N
XLogP1.65
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074730
3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
CID 15754777
3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145572
1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine
CID 83866552
2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 53337689
2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82055184
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83641424
2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetic acid
CID 82599293
2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid
CID 55034253
2-(3-ethylimidazo[1,5-a]pyridin-8-yl)acetic acid
CID 83832478
2-(8-chloro-3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 83869363
2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 79015469

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid?
The IUPAC name of 2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid (CID 83866558) is 2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid.
What is the SMILES notation for 2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid?
The canonical SMILES for 2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid is CC(C)(C)c1nnc2c(CC(=O)O)cccn12.
What is the InChIKey of 2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid?
The InChIKey is DKEZZUAWAXGOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)11-14-13-10-8(7-9(16)17)5-4-6-15(10)11/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid?
2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid is sourced from PubChem (CID 83866558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).