2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone

C11H11N3O2 — CID 66969194

IUPAC2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone
SMILESCOC(C(=O)n1cncn1)c1ccccc1
InChIInChI=1S/C11H11N3O2/c1-16-10(9-5-3-2-4-6-9)11(15)14-8-12-7-13-14/h2-8,10H,1H3
InChIKeyLPZYDYBLGKDILR-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.31
Rot. Bonds3

About 2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone

2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone (PubChem CID 66969194) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone
PubChem CID66969194
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone
SMILESCOC(C(=O)n1cncn1)c1ccccc1
InChIInChI=1S/C11H11N3O2/c1-16-10(9-5-3-2-4-6-9)11(15)14-8-12-7-13-14/h2-8,10H,1H3
InChIKeyLPZYDYBLGKDILR-UHFFFAOYSA-N
XLogP1.31
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone (CID 66969194) is 2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone is COC(C(=O)n1cncn1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is LPZYDYBLGKDILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-10(9-5-3-2-4-6-9)11(15)14-8-12-7-13-14/h2-8,10H,1H3.
What are the key properties of 2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone?
2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 217.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-1-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 66969194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).