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

C13H13ClN4O — CID 121154697

IUPAC2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CC(n2ccnn2)C1
InChIInChI=1S/C13H13ClN4O/c14-12-4-2-1-3-10(12)7-13(19)17-8-11(9-17)18-6-5-15-16-18/h1-6,11H,7-9H2
InChIKeyUAOHFRPDIWNJON-UHFFFAOYSA-N
MW276.73 g/mol
LogP1.56
Rot. Bonds3

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

2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone (PubChem CID 121154697) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
PubChem CID121154697
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CC(n2ccnn2)C1
InChIInChI=1S/C13H13ClN4O/c14-12-4-2-1-3-10(12)7-13(19)17-8-11(9-17)18-6-5-15-16-18/h1-6,11H,7-9H2
InChIKeyUAOHFRPDIWNJON-UHFFFAOYSA-N
XLogP1.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dichlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
CID 121154754
2-(2-chloro-6-fluorophenyl)-1-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99877381
2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154692
3-(2-ethoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
CID 121154758
3-(4-chloro-3-fluorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
CID 91814731
(5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 91625205
2-pyridin-4-ylsulfanyl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154788
2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662368
2-(2-chlorophenyl)-1-[(1R,5R)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone
CID 72916775
2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
CID 86793603
3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155047
(2S)-2-phenyl-1-[3-(triazol-1-yl)azetidin-1-yl]butan-1-one
CID 129352862

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone (CID 121154697) is 2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CC(n2ccnn2)C1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The InChIKey is UAOHFRPDIWNJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-12-4-2-1-3-10(12)7-13(19)17-8-11(9-17)18-6-5-15-16-18/h1-6,11H,7-9H2.
What are the key properties of 2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone has a molecular weight of 276.73 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 121154697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).