2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane

C10H12FN3 — CID 164648137

IUPAC2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane
SMILESFc1nccnc1N1CC2CCC1C2
InChIInChI=1S/C10H12FN3/c11-9-10(13-4-3-12-9)14-6-7-1-2-8(14)5-7/h3-4,7-8H,1-2,5-6H2
InChIKeyQTMZWVFVHUHVID-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.60
Rot. Bonds1

About 2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane

2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane (PubChem CID 164648137) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane
PubChem CID164648137
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane
SMILESFc1nccnc1N1CC2CCC1C2
InChIInChI=1S/C10H12FN3/c11-9-10(13-4-3-12-9)14-6-7-1-2-8(14)5-7/h3-4,7-8H,1-2,5-6H2
InChIKeyQTMZWVFVHUHVID-UHFFFAOYSA-N
XLogP1.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane (CID 164648137) is 2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane is Fc1nccnc1N1CC2CCC1C2.
What is the InChIKey of 2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is QTMZWVFVHUHVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c11-9-10(13-4-3-12-9)14-6-7-1-2-8(14)5-7/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane?
2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 193.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrazin-2-yl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 164648137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).