5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid

C11H14FN3O2 — CID 122057459

IUPAC5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCC2(F)CCC2)cn1
InChIInChI=1S/C11H14FN3O2/c12-11(2-1-3-11)4-5-13-9-7-14-8(6-15-9)10(16)17/h6-7H,1-5H2,(H,13,15)(H,16,17)
InChIKeyMCWDZYLZERJYAN-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.87
Rot. Bonds5

About 5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid

5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 122057459) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID122057459
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCC2(F)CCC2)cn1
InChIInChI=1S/C11H14FN3O2/c12-11(2-1-3-11)4-5-13-9-7-14-8(6-15-9)10(16)17/h6-7H,1-5H2,(H,13,15)(H,16,17)
InChIKeyMCWDZYLZERJYAN-UHFFFAOYSA-N
XLogP1.87
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid (CID 122057459) is 5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCCC2(F)CCC2)cn1.
What is the InChIKey of 5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is MCWDZYLZERJYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-11(2-1-3-11)4-5-13-9-7-14-8(6-15-9)10(16)17/h6-7H,1-5H2,(H,13,15)(H,16,17).
What are the key properties of 5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid?
5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-fluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122057459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).