1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole

C13H16N4O — CID 113414938

IUPAC1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole
SMILESCOCc1cccc(-c2cn(C3CNC3)nn2)c1
InChIInChI=1S/C13H16N4O/c1-18-9-10-3-2-4-11(5-10)13-8-17(16-15-13)12-6-14-7-12/h2-5,8,12,14H,6-7,9H2,1H3
InChIKeyWAJKDLKJUKIHSO-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.24
Rot. Bonds4

About 1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole

1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole (PubChem CID 113414938) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole
PubChem CID113414938
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole
SMILESCOCc1cccc(-c2cn(C3CNC3)nn2)c1
InChIInChI=1S/C13H16N4O/c1-18-9-10-3-2-4-11(5-10)13-8-17(16-15-13)12-6-14-7-12/h2-5,8,12,14H,6-7,9H2,1H3
InChIKeyWAJKDLKJUKIHSO-UHFFFAOYSA-N
XLogP1.24
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole?
The IUPAC name of 1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole (CID 113414938) is 1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole?
The canonical SMILES for 1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole is COCc1cccc(-c2cn(C3CNC3)nn2)c1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole?
The InChIKey is WAJKDLKJUKIHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-18-9-10-3-2-4-11(5-10)13-8-17(16-15-13)12-6-14-7-12/h2-5,8,12,14H,6-7,9H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole?
1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole has a molecular weight of 244.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-[3-(methoxymethyl)phenyl]triazole is sourced from PubChem (CID 113414938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).