1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole

Name: 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₈N₄O — CID 121183831

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole

SMILESc1cn(C2CN(CC3CCOCC3)C2)nn1

InChIInChI=1S/C11H18N4O/c1-5-16-6-2-10(1)7-14-8-11(9-14)15-4-3-12-13-15/h3-4,10-11H,1-2,5-9H2

InChIKeyYTFXUUPHTKDQIG-UHFFFAOYSA-N

MW222.29 g/mol

LogP0.56

Rot. Bonds3

About 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole

1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole (PubChem CID 121183831) has the molecular formula C₁₁H₁₈N₄O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole.

Molecular Properties

Compound Name	1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole
PubChem CID	121183831
Molecular Formula	C₁₁H₁₈N₄O
Molecular Weight	222.29 g/mol
Exact Mass	222.15
IUPAC Name	1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole
SMILES	c1cn(C2CN(CC3CCOCC3)C2)nn1
InChI	InChI=1S/C11H18N4O/c1-5-16-6-2-10(1)7-14-8-11(9-14)15-4-3-12-13-15/h3-4,10-11H,1-2,5-9H2
InChIKey	YTFXUUPHTKDQIG-UHFFFAOYSA-N
XLogP	0.56
TPSA	43.18 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.29
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole?

The IUPAC name of 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole (CID 121183831) is 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole.

What is the SMILES notation for 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole?

The canonical SMILES for 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole is c1cn(C2CN(CC3CCOCC3)C2)nn1.

What is the InChIKey of 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole?

The InChIKey is YTFXUUPHTKDQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-5-16-6-2-10(1)7-14-8-11(9-14)15-4-3-12-13-15/h3-4,10-11H,1-2,5-9H2.

What are the key properties of 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole?

1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole has a molecular weight of 222.29 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole is sourced from PubChem (CID 121183831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121183831 — identifiers, structure, computed properties (public domain)

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