2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C12H14N4O2 — CID 117136518

IUPAC2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCN1CCCC1c1nc2c(C(=O)O)cccn2n1
InChIInChI=1S/C12H14N4O2/c1-15-6-3-5-9(15)10-13-11-8(12(17)18)4-2-7-16(11)14-10/h2,4,7,9H,3,5-6H2,1H3,(H,17,18)
InChIKeyUQNDZXZVXUUDIW-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.19
Rot. Bonds2

About 2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117136518) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117136518
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCN1CCCC1c1nc2c(C(=O)O)cccn2n1
InChIInChI=1S/C12H14N4O2/c1-15-6-3-5-9(15)10-13-11-8(12(17)18)4-2-7-16(11)14-10/h2,4,7,9H,3,5-6H2,1H3,(H,17,18)
InChIKeyUQNDZXZVXUUDIW-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

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Related Compounds

8-methyl-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136604
2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117135997
3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147521
2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565546
methyl 2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117136907
methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117137744
2-[(1,1-dioxothian-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117136895
4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid
CID 115024586
4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-5-carboxylic acid
CID 165448957
2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565550
2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117137293
1-methyl-3-(1-methylpyrrolidin-2-yl)pyridin-2-one
CID 78173633

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 117136518) is 2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is CN1CCCC1c1nc2c(C(=O)O)cccn2n1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is UQNDZXZVXUUDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-15-6-3-5-9(15)10-13-11-8(12(17)18)4-2-7-16(11)14-10/h2,4,7,9H,3,5-6H2,1H3,(H,17,18).
What are the key properties of 2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-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 2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117136518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).