[1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol

C13H15N3O — CID 104614276

IUPAC[1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol
SMILESOCC1CN(Cc2cccc3nccnc23)C1
InChIInChI=1S/C13H15N3O/c17-9-10-6-16(7-10)8-11-2-1-3-12-13(11)15-5-4-14-12/h1-5,10,17H,6-9H2
InChIKeyFNWYMULNAXDHNZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.05
Rot. Bonds3

About [1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol

[1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol (PubChem CID 104614276) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol
PubChem CID104614276
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol
SMILESOCC1CN(Cc2cccc3nccnc23)C1
InChIInChI=1S/C13H15N3O/c17-9-10-6-16(7-10)8-11-2-1-3-12-13(11)15-5-4-14-12/h1-5,10,17H,6-9H2
InChIKeyFNWYMULNAXDHNZ-UHFFFAOYSA-N
XLogP1.05
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol?
The IUPAC name of [1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol (CID 104614276) is [1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol is OCC1CN(Cc2cccc3nccnc23)C1.
What is the InChIKey of [1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol?
The InChIKey is FNWYMULNAXDHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-9-10-6-16(7-10)8-11-2-1-3-12-13(11)15-5-4-14-12/h1-5,10,17H,6-9H2.
What are the key properties of [1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol?
[1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol has a molecular weight of 229.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(quinoxalin-5-ylmethyl)azetidin-3-yl]methanol is sourced from PubChem (CID 104614276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).