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

C11H18N4O — CID 121183831

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 Name1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole
PubChem CID121183831
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[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
XLogP0.56
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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).