3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid

C14H18N4O2 — CID 63147325

IUPAC3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2cc(C)cc3ncnn23)C1
InChIInChI=1S/C14H18N4O2/c1-3-14(13(19)20)4-5-17(8-14)12-7-10(2)6-11-15-9-16-18(11)12/h6-7,9H,3-5,8H2,1-2H3,(H,19,20)
InChIKeyCCKPRHXUUDUJMQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.73
Rot. Bonds3

About 3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63147325) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid
PubChem CID63147325
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2cc(C)cc3ncnn23)C1
InChIInChI=1S/C14H18N4O2/c1-3-14(13(19)20)4-5-17(8-14)12-7-10(2)6-11-15-9-16-18(11)12/h6-7,9H,3-5,8H2,1-2H3,(H,19,20)
InChIKeyCCKPRHXUUDUJMQ-UHFFFAOYSA-N
XLogP1.73
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977559
1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312155
1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63146887
3-ethyl-1-(3-methyl-5-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 115981062
3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 63147374
4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 63125900
1-(2-carbamoyl-4-pyridinyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147504
3-ethyl-1-(2-methoxycarbonyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 66286395
1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 115354743
3-ethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63147377
1-(2-cyano-4-methylphenyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 107926656
2-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)piperazin-1-yl]propan-1-amine
CID 63339291

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid (CID 63147325) is 3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(c2cc(C)cc3ncnn23)C1.
What is the InChIKey of 3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is CCKPRHXUUDUJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-14(13(19)20)4-5-17(8-14)12-7-10(2)6-11-15-9-16-18(11)12/h6-7,9H,3-5,8H2,1-2H3,(H,19,20).
What are the key properties of 3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).