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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Related Compounds

3-amino-4-fluoro-N-(1,2,4-triazin-3-yl)benzamide
CID 114386756
4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide
CID 115635769
4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide
CID 107332970
4-fluoro-N-(1,2-oxazol-3-yl)-3-(trifluoromethyl)benzamide
CID 55131451
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide
CID 114389554
[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]thiourea
CID 65216860
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 78993906
4-amino-3-nitro-N-(1,2,4-triazin-3-yl)benzamide
CID 114389514
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 86851557
3-amino-4-ethoxy-N-(1,2,4-triazin-3-yl)benzamide
CID 114386749

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).