3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

C12H14N4O2 — CID 117147521

IUPAC3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCN1CCCC1c1nnc2c(C(=O)O)cccn12
InChIInChI=1S/C12H14N4O2/c1-15-6-3-5-9(15)11-14-13-10-8(12(17)18)4-2-7-16(10)11/h2,4,7,9H,3,5-6H2,1H3,(H,17,18)
InChIKeyQXVKKAGERBZXAY-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.19
Rot. Bonds2

About 3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 117147521) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID117147521
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCN1CCCC1c1nnc2c(C(=O)O)cccn12
InChIInChI=1S/C12H14N4O2/c1-15-6-3-5-9(15)11-14-13-10-8(12(17)18)4-2-7-16(10)11/h2,4,7,9H,3,5-6H2,1H3,(H,17,18)
InChIKeyQXVKKAGERBZXAY-UHFFFAOYSA-N
XLogP1.19
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-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-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147556
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074688
8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146593
8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145448
2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117136518
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146542
methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147559
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074730
3-[(cyclobutylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117257439
4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid
CID 115024586
3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 86764840
2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 159601367

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 117147521) is 3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is CN1CCCC1c1nnc2c(C(=O)O)cccn12.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is QXVKKAGERBZXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-15-6-3-5-9(15)11-14-13-10-8(12(17)18)4-2-7-16(10)11/h2,4,7,9H,3,5-6H2,1H3,(H,17,18).
What are the key properties of 3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117147521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).