2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

C11H7F6N5O2 — CID 36580536

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H7F6N5O2/c12-10(13,14)5-1-2-7(24)22(3-5)4-6(23)18-9-19-8(20-21-9)11(15,16)17/h1-3H,4H2,(H2,18,19,20,21,23)
InChIKeyYZXMMVAOXGMASI-UHFFFAOYSA-N
MW355.20 g/mol
LogP1.64
Rot. Bonds3

About 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 36580536) has the molecular formula C11H7F6N5O2 and a molecular weight of 355.20 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID36580536
Molecular FormulaC11H7F6N5O2
Molecular Weight355.20 g/mol
Exact Mass355.05
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H7F6N5O2/c12-10(13,14)5-1-2-7(24)22(3-5)4-6(23)18-9-19-8(20-21-9)11(15,16)17/h1-3H,4H2,(H2,18,19,20,21,23)
InChIKeyYZXMMVAOXGMASI-UHFFFAOYSA-N
XLogP1.64
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 36580536) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is YZXMMVAOXGMASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6N5O2/c12-10(13,14)5-1-2-7(24)22(3-5)4-6(23)18-9-19-8(20-21-9)11(15,16)17/h1-3H,4H2,(H2,18,19,20,21,23).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 355.20 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 36580536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).