2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide

C13H16N4O2 — CID 91771828

IUPAC2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCOC(C(=O)NCCn1cncn1)c1ccccc1
InChIInChI=1S/C13H16N4O2/c1-19-12(11-5-3-2-4-6-11)13(18)15-7-8-17-10-14-9-16-17/h2-6,9-10,12H,7-8H2,1H3,(H,15,18)
InChIKeyAOIKRJYENBVDAW-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.78
Rot. Bonds6

About 2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide

2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (PubChem CID 91771828) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
PubChem CID91771828
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCOC(C(=O)NCCn1cncn1)c1ccccc1
InChIInChI=1S/C13H16N4O2/c1-19-12(11-5-3-2-4-6-11)13(18)15-7-8-17-10-14-9-16-17/h2-6,9-10,12H,7-8H2,1H3,(H,15,18)
InChIKeyAOIKRJYENBVDAW-UHFFFAOYSA-N
XLogP0.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (CID 91771828) is 2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is COC(C(=O)NCCn1cncn1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The InChIKey is AOIKRJYENBVDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-12(11-5-3-2-4-6-11)13(18)15-7-8-17-10-14-9-16-17/h2-6,9-10,12H,7-8H2,1H3,(H,15,18).
What are the key properties of 2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 91771828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).