3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid

C12H15N3O2 — CID 116989763

IUPAC3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid
SMILESCc1ccn2nc(C(C(=O)O)C(C)C)nc2c1
InChIInChI=1S/C12H15N3O2/c1-7(2)10(12(16)17)11-13-9-6-8(3)4-5-15(9)14-11/h4-7,10H,1-3H3,(H,16,17)
InChIKeyCRYWKCAYZROBHE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.86
Rot. Bonds3

About 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid

3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid (PubChem CID 116989763) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid
PubChem CID116989763
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid
SMILESCc1ccn2nc(C(C(=O)O)C(C)C)nc2c1
InChIInChI=1S/C12H15N3O2/c1-7(2)10(12(16)17)11-13-9-6-8(3)4-5-15(9)14-11/h4-7,10H,1-3H3,(H,16,17)
InChIKeyCRYWKCAYZROBHE-UHFFFAOYSA-N
XLogP1.86
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116989744
3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanenitrile
CID 116989772
methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate
CID 116990277
2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116990013
methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989721
(E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid
CID 116989727
7-methyl-2-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989776
methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117135307
2-(3-chloro-5-methylpyrazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 83898185
2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116989598
(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 116989782
2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 105457173

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid?
The IUPAC name of 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid (CID 116989763) is 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid?
The canonical SMILES for 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid is Cc1ccn2nc(C(C(=O)O)C(C)C)nc2c1.
What is the InChIKey of 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid?
The InChIKey is CRYWKCAYZROBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7(2)10(12(16)17)11-13-9-6-8(3)4-5-15(9)14-11/h4-7,10H,1-3H3,(H,16,17).
What are the key properties of 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid?
3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid is sourced from PubChem (CID 116989763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).