3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C12H15N3O2 — CID 62387950

IUPAC3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCCCCCc1nnc2ccc(C(=O)O)cn12
InChIInChI=1S/C12H15N3O2/c1-2-3-4-5-10-13-14-11-7-6-9(12(16)17)8-15(10)11/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyIRRVLLWLPGQZFJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.16
Rot. Bonds5

About 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 62387950) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID62387950
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCCCCCc1nnc2ccc(C(=O)O)cn12
InChIInChI=1S/C12H15N3O2/c1-2-3-4-5-10-13-14-11-7-6-9(12(16)17)8-15(10)11/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyIRRVLLWLPGQZFJ-UHFFFAOYSA-N
XLogP2.16
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic 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-octyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 65427572
3-heptyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 55068173
3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257179
3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62390046
3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257215
3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63953397
1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid
CID 84614333
3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389874
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389506
3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 103022465
methyl 3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384667
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62388791

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 62387950) is 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is CCCCCc1nnc2ccc(C(=O)O)cn12.
What is the InChIKey of 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is IRRVLLWLPGQZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-3-4-5-10-13-14-11-7-6-9(12(16)17)8-15(10)11/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 62387950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).