2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine

C13H19FN2 — CID 142902709

IUPAC2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine
SMILESCCC(C)c1cnc(CCC2(F)CC2)cn1
InChIInChI=1S/C13H19FN2/c1-3-10(2)12-9-15-11(8-16-12)4-5-13(14)6-7-13/h8-10H,3-7H2,1-2H3
InChIKeyIDDOZRARUXIXNI-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.42
Rot. Bonds5

About 2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine

2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine (PubChem CID 142902709) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine.

Molecular Properties

Compound Name2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine
PubChem CID142902709
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine
SMILESCCC(C)c1cnc(CCC2(F)CC2)cn1
InChIInChI=1S/C13H19FN2/c1-3-10(2)12-9-15-11(8-16-12)4-5-13(14)6-7-13/h8-10H,3-7H2,1-2H3
InChIKeyIDDOZRARUXIXNI-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine?
The IUPAC name of 2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine (CID 142902709) is 2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine.
What is the SMILES notation for 2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine?
The canonical SMILES for 2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine is CCC(C)c1cnc(CCC2(F)CC2)cn1.
What is the InChIKey of 2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine?
The InChIKey is IDDOZRARUXIXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-10(2)12-9-15-11(8-16-12)4-5-13(14)6-7-13/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine?
2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine has a molecular weight of 222.31 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-[2-(1-fluorocyclopropyl)ethyl]pyrazine is sourced from PubChem (CID 142902709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).