4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide

C11H6F4N4O — CID 114387361

IUPAC4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nccnn1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H6F4N4O/c12-8-2-1-6(5-7(8)11(13,14)15)9(20)18-10-16-3-4-17-19-10/h1-5H,(H,16,18,19,20)
InChIKeyGRIYNHSATLKBGB-UHFFFAOYSA-N
MW286.19 g/mol
LogP2.28
Rot. Bonds2

About 4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide

4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide (PubChem CID 114387361) has the molecular formula C11H6F4N4O and a molecular weight of 286.19 g/mol. Its IUPAC name is 4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide
PubChem CID114387361
Molecular FormulaC11H6F4N4O
Molecular Weight286.19 g/mol
Exact Mass286.05
IUPAC Name4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nccnn1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H6F4N4O/c12-8-2-1-6(5-7(8)11(13,14)15)9(20)18-10-16-3-4-17-19-10/h1-5H,(H,16,18,19,20)
InChIKeyGRIYNHSATLKBGB-UHFFFAOYSA-N
XLogP2.28
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide (CID 114387361) is 4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1nccnn1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is GRIYNHSATLKBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N4O/c12-8-2-1-6(5-7(8)11(13,14)15)9(20)18-10-16-3-4-17-19-10/h1-5H,(H,16,18,19,20).
What are the key properties of 4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide?
4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 286.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 114387361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).