2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine

C11H16FN3 — CID 164646878

IUPAC2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine
SMILESCCC1C(C)CCN1c1cncc(F)n1
InChIInChI=1S/C11H16FN3/c1-3-9-8(2)4-5-15(9)11-7-13-6-10(12)14-11/h6-9H,3-5H2,1-2H3
InChIKeyDNBWEBTUTAZBTF-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.24
Rot. Bonds2

About 2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine

2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine (PubChem CID 164646878) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine.

Molecular Properties

Compound Name2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine
PubChem CID164646878
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine
SMILESCCC1C(C)CCN1c1cncc(F)n1
InChIInChI=1S/C11H16FN3/c1-3-9-8(2)4-5-15(9)11-7-13-6-10(12)14-11/h6-9H,3-5H2,1-2H3
InChIKeyDNBWEBTUTAZBTF-UHFFFAOYSA-N
XLogP2.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine?
The IUPAC name of 2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine (CID 164646878) is 2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine.
What is the SMILES notation for 2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine?
The canonical SMILES for 2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine is CCC1C(C)CCN1c1cncc(F)n1.
What is the InChIKey of 2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine?
The InChIKey is DNBWEBTUTAZBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-3-9-8(2)4-5-15(9)11-7-13-6-10(12)14-11/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine?
2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine has a molecular weight of 209.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-methylpyrrolidin-1-yl)-6-fluoropyrazine is sourced from PubChem (CID 164646878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).