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

C9H12FN3O2 — CID 164648156

IUPAC1-(3-fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol
SMILESCOCC1(O)CN(c2nccnc2F)C1
InChIInChI=1S/C9H12FN3O2/c1-15-6-9(14)4-13(5-9)8-7(10)11-2-3-12-8/h2-3,14H,4-6H2,1H3
InChIKeyPOPZGJILOOLHBC-UHFFFAOYSA-N
MW213.21 g/mol
LogP-0.19
Rot. Bonds3

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

1-(3-fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol (PubChem CID 164648156) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 1-(3-fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3-fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol
PubChem CID164648156
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name1-(3-fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol
SMILESCOCC1(O)CN(c2nccnc2F)C1
InChIInChI=1S/C9H12FN3O2/c1-15-6-9(14)4-13(5-9)8-7(10)11-2-3-12-8/h2-3,14H,4-6H2,1H3
InChIKeyPOPZGJILOOLHBC-UHFFFAOYSA-N
XLogP-0.19
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol?
The IUPAC name of 1-(3-fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol (CID 164648156) is 1-(3-fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol.
What is the SMILES notation for 1-(3-fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol?
The canonical SMILES for 1-(3-fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol is COCC1(O)CN(c2nccnc2F)C1.
What is the InChIKey of 1-(3-fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol?
The InChIKey is POPZGJILOOLHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-15-6-9(14)4-13(5-9)8-7(10)11-2-3-12-8/h2-3,14H,4-6H2,1H3.
What are the key properties of 1-(3-fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol?
1-(3-fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol has a molecular weight of 213.21 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol is sourced from PubChem (CID 164648156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).