2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide

C13H13F3N4O2 — CID 138026985

IUPAC2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOC(C(=O)Nc1nncn1C)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N4O2/c1-20-7-17-19-12(20)18-11(21)10(22-2)8-5-3-4-6-9(8)13(14,15)16/h3-7,10H,1-2H3,(H,18,19,21)
InChIKeyHVRJELZSKUSUFM-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.16
Rot. Bonds4

About 2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide

2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 138026985) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID138026985
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC Name2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOC(C(=O)Nc1nncn1C)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N4O2/c1-20-7-17-19-12(20)18-11(21)10(22-2)8-5-3-4-6-9(8)13(14,15)16/h3-7,10H,1-2H3,(H,18,19,21)
InChIKeyHVRJELZSKUSUFM-UHFFFAOYSA-N
XLogP2.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide (CID 138026985) is 2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide is COC(C(=O)Nc1nncn1C)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HVRJELZSKUSUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-20-7-17-19-12(20)18-11(21)10(22-2)8-5-3-4-6-9(8)13(14,15)16/h3-7,10H,1-2H3,(H,18,19,21).
What are the key properties of 2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 314.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methyl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 138026985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).