2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone

C14H16N4O2 — CID 121154692

IUPAC2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CC(n3ccnn3)C2)cc1
InChIInChI=1S/C14H16N4O2/c1-20-13-4-2-11(3-5-13)8-14(19)17-9-12(10-17)18-7-6-15-16-18/h2-7,12H,8-10H2,1H3
InChIKeyCVBHSTNTOYSCJB-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.91
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone (PubChem CID 121154692) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
PubChem CID121154692
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CC(n3ccnn3)C2)cc1
InChIInChI=1S/C14H16N4O2/c1-20-13-4-2-11(3-5-13)8-14(19)17-9-12(10-17)18-7-6-15-16-18/h2-7,12H,8-10H2,1H3
InChIKeyCVBHSTNTOYSCJB-UHFFFAOYSA-N
XLogP0.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 84579645
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide
CID 121154782
2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154697
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-methoxyphenyl)ethanone
CID 66213547
2-(4-propan-2-ylsulfonylphenyl)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121150838
3-[1-[2-(4-methoxyphenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155037
N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121154881
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 110393885
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
3-(2-ethoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
CID 121154758
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone (CID 121154692) is 2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone is COc1ccc(CC(=O)N2CC(n3ccnn3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The InChIKey is CVBHSTNTOYSCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-13-4-2-11(3-5-13)8-14(19)17-9-12(10-17)18-7-6-15-16-18/h2-7,12H,8-10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone has a molecular weight of 272.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 121154692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).