2-(azetidin-1-ylmethyl)-6-fluoropyrazine

C8H10FN3 — CID 143922312

IUPAC2-(azetidin-1-ylmethyl)-6-fluoropyrazine
SMILESFc1cncc(CN2CCC2)n1
InChIInChI=1S/C8H10FN3/c9-8-5-10-4-7(11-8)6-12-2-1-3-12/h4-5H,1-3,6H2
InChIKeyKLXZOXWPKWKGDU-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.82
Rot. Bonds2

About 2-(azetidin-1-ylmethyl)-6-fluoropyrazine

2-(azetidin-1-ylmethyl)-6-fluoropyrazine (PubChem CID 143922312) has the molecular formula C8H10FN3 and a molecular weight of 167.19 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)-6-fluoropyrazine.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)-6-fluoropyrazine
PubChem CID143922312
Molecular FormulaC8H10FN3
Molecular Weight167.19 g/mol
Exact Mass167.09
IUPAC Name2-(azetidin-1-ylmethyl)-6-fluoropyrazine
SMILESFc1cncc(CN2CCC2)n1
InChIInChI=1S/C8H10FN3/c9-8-5-10-4-7(11-8)6-12-2-1-3-12/h4-5H,1-3,6H2
InChIKeyKLXZOXWPKWKGDU-UHFFFAOYSA-N
XLogP0.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylmethyl)-6-fluoropyrazine?
The IUPAC name of 2-(azetidin-1-ylmethyl)-6-fluoropyrazine (CID 143922312) is 2-(azetidin-1-ylmethyl)-6-fluoropyrazine.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)-6-fluoropyrazine?
The canonical SMILES for 2-(azetidin-1-ylmethyl)-6-fluoropyrazine is Fc1cncc(CN2CCC2)n1.
What is the InChIKey of 2-(azetidin-1-ylmethyl)-6-fluoropyrazine?
The InChIKey is KLXZOXWPKWKGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3/c9-8-5-10-4-7(11-8)6-12-2-1-3-12/h4-5H,1-3,6H2.
What are the key properties of 2-(azetidin-1-ylmethyl)-6-fluoropyrazine?
2-(azetidin-1-ylmethyl)-6-fluoropyrazine has a molecular weight of 167.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)-6-fluoropyrazine is sourced from PubChem (CID 143922312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).