1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid

C14H16N4O3 — CID 84614425

IUPAC1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCc1nnc2c(C(=O)N3CCCC3C(=O)O)cccn12
InChIInChI=1S/C14H16N4O3/c1-2-11-15-16-12-9(5-3-8-18(11)12)13(19)17-7-4-6-10(17)14(20)21/h3,5,8,10H,2,4,6-7H2,1H3,(H,20,21)
InChIKeyHNDHWYFQXJXNEK-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.98
Rot. Bonds3

About 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid

1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 84614425) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID84614425
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCc1nnc2c(C(=O)N3CCCC3C(=O)O)cccn12
InChIInChI=1S/C14H16N4O3/c1-2-11-15-16-12-9(5-3-8-18(11)12)13(19)17-7-4-6-10(17)14(20)21/h3,5,8,10H,2,4,6-7H2,1H3,(H,20,21)
InChIKeyHNDHWYFQXJXNEK-UHFFFAOYSA-N
XLogP0.98
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
CID 78923013
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
(2R)-1-(2,3-dihydroxybenzoyl)pyrrolidine-2-carboxylic acid
CID 104894003
1-[2-(cyanomethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 82179126
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
3-[(cyclobutylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117257439
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532
(2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 140517997
1-(2,3-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 16790921
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
1-(2,3-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 24699096
1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 43614573

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid (CID 84614425) is 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid is CCc1nnc2c(C(=O)N3CCCC3C(=O)O)cccn12.
What is the InChIKey of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HNDHWYFQXJXNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-11-15-16-12-9(5-3-8-18(11)12)13(19)17-7-4-6-10(17)14(20)21/h3,5,8,10H,2,4,6-7H2,1H3,(H,20,21).
What are the key properties of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid?
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 84614425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).