3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid

C13H18N4O2 — CID 55158995

IUPAC3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H18N4O2/c18-13(19)11-12(15-5-4-14-11)17-8-3-10(9-17)16-6-1-2-7-16/h4-5,10H,1-3,6-9H2,(H,18,19)
InChIKeyIMILYLZWPVGVJJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.85
Rot. Bonds3

About 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid

3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 55158995) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID55158995
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H18N4O2/c18-13(19)11-12(15-5-4-14-11)17-8-3-10(9-17)16-6-1-2-7-16/h4-5,10H,1-3,6-9H2,(H,18,19)
InChIKeyIMILYLZWPVGVJJ-UHFFFAOYSA-N
XLogP0.85
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid (CID 55158995) is 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1N1CCC(N2CCCC2)C1.
What is the InChIKey of 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is IMILYLZWPVGVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-13(19)11-12(15-5-4-14-11)17-8-3-10(9-17)16-6-1-2-7-16/h4-5,10H,1-3,6-9H2,(H,18,19).
What are the key properties of 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 55158995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).