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

C15H20N4O2 — CID 106977559

IUPAC1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1cc(C)cc2ncnn12
InChIInChI=1S/C15H20N4O2/c1-3-5-15(14(20)21)6-4-7-18(15)13-9-11(2)8-12-16-10-17-19(12)13/h8-10H,3-7H2,1-2H3,(H,20,21)
InChIKeyKLFHKMJTLXVTJR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.26
Rot. Bonds4

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

1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977559) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977559
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1cc(C)cc2ncnn12
InChIInChI=1S/C15H20N4O2/c1-3-5-15(14(20)21)6-4-7-18(15)13-9-11(2)8-12-16-10-17-19(12)13/h8-10H,3-7H2,1-2H3,(H,20,21)
InChIKeyKLFHKMJTLXVTJR-UHFFFAOYSA-N
XLogP2.26
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid
CID 63147325
1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977589
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136959737
1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977692
1-(4,6-dimethoxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977561
2-propyl-1-(7H-purin-6-yl)pyrrolidine-2-carboxylic acid
CID 106977510
2-propyl-1-quinazolin-4-ylpyrrolidine-2-carboxylic acid
CID 106977669
2-propyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylic acid
CID 106977575
1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cycloheptane-1-carboxylic acid
CID 61291624
1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312155
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792246
2-propyl-1-pyrido[2,3-b]pyrazin-6-ylpyrrolidine-2-carboxylic acid
CID 106977674

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977559) is 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1c1cc(C)cc2ncnn12.
What is the InChIKey of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is KLFHKMJTLXVTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-5-15(14(20)21)6-4-7-18(15)13-9-11(2)8-12-16-10-17-19(12)13/h8-10H,3-7H2,1-2H3,(H,20,21).
What are the key properties of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid?
1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).