1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone

C18H17N3O2 — CID 73349464

IUPAC1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C18H17N3O2/c1-23-18-10-6-5-9-15(18)11-17(22)16-13-21(20-19-16)12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyOZAITOIWYLVYJA-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.76
Rot. Bonds6

About 1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone

1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone (PubChem CID 73349464) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone
PubChem CID73349464
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C18H17N3O2/c1-23-18-10-6-5-9-15(18)11-17(22)16-13-21(20-19-16)12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyOZAITOIWYLVYJA-UHFFFAOYSA-N
XLogP2.76
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone (CID 73349464) is 1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is OZAITOIWYLVYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-18-10-6-5-9-15(18)11-17(22)16-13-21(20-19-16)12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3.
What are the key properties of 1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone?
1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone has a molecular weight of 307.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyltriazol-4-yl)-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 73349464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).