1-(3-fluoropyrazin-2-yl)azetidin-3-ol

C7H8FN3O — CID 164648153

IUPAC1-(3-fluoropyrazin-2-yl)azetidin-3-ol
SMILESOC1CN(c2nccnc2F)C1
InChIInChI=1S/C7H8FN3O/c8-6-7(10-2-1-9-6)11-3-5(12)4-11/h1-2,5,12H,3-4H2
InChIKeyRLIMXPFXRSFPMM-UHFFFAOYSA-N
MW169.16 g/mol
LogP-0.20
Rot. Bonds1

About 1-(3-fluoropyrazin-2-yl)azetidin-3-ol

1-(3-fluoropyrazin-2-yl)azetidin-3-ol (PubChem CID 164648153) has the molecular formula C7H8FN3O and a molecular weight of 169.16 g/mol. Its IUPAC name is 1-(3-fluoropyrazin-2-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3-fluoropyrazin-2-yl)azetidin-3-ol
PubChem CID164648153
Molecular FormulaC7H8FN3O
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC Name1-(3-fluoropyrazin-2-yl)azetidin-3-ol
SMILESOC1CN(c2nccnc2F)C1
InChIInChI=1S/C7H8FN3O/c8-6-7(10-2-1-9-6)11-3-5(12)4-11/h1-2,5,12H,3-4H2
InChIKeyRLIMXPFXRSFPMM-UHFFFAOYSA-N
XLogP-0.20
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyrazin-2-yl)azetidin-3-ol?
The IUPAC name of 1-(3-fluoropyrazin-2-yl)azetidin-3-ol (CID 164648153) is 1-(3-fluoropyrazin-2-yl)azetidin-3-ol.
What is the SMILES notation for 1-(3-fluoropyrazin-2-yl)azetidin-3-ol?
The canonical SMILES for 1-(3-fluoropyrazin-2-yl)azetidin-3-ol is OC1CN(c2nccnc2F)C1.
What is the InChIKey of 1-(3-fluoropyrazin-2-yl)azetidin-3-ol?
The InChIKey is RLIMXPFXRSFPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O/c8-6-7(10-2-1-9-6)11-3-5(12)4-11/h1-2,5,12H,3-4H2.
What are the key properties of 1-(3-fluoropyrazin-2-yl)azetidin-3-ol?
1-(3-fluoropyrazin-2-yl)azetidin-3-ol has a molecular weight of 169.16 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyrazin-2-yl)azetidin-3-ol is sourced from PubChem (CID 164648153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).