N-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide

C11H9F3N4O2 — CID 60506910

IUPACN-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)Nc1ncn[nH]1
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)7-1-3-8(4-2-7)20-5-9(19)17-10-15-6-16-18-10/h1-4,6H,5H2,(H2,15,16,17,18,19)
InChIKeyBJOKJISCMWZUBM-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.84
Rot. Bonds4

About N-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide

N-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 60506910) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID60506910
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC NameN-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)Nc1ncn[nH]1
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)7-1-3-8(4-2-7)20-5-9(19)17-10-15-6-16-18-10/h1-4,6H,5H2,(H2,15,16,17,18,19)
InChIKeyBJOKJISCMWZUBM-UHFFFAOYSA-N
XLogP1.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 60506910) is N-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccc(C(F)(F)F)cc1)Nc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is BJOKJISCMWZUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c12-11(13,14)7-1-3-8(4-2-7)20-5-9(19)17-10-15-6-16-18-10/h1-4,6H,5H2,(H2,15,16,17,18,19).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 286.21 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 60506910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).