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

C11H6BrF3N4O — CID 107332970

IUPAC4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1nccnn1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H6BrF3N4O/c12-6-1-2-7(8(5-6)11(13,14)15)9(20)18-10-16-3-4-17-19-10/h1-5H,(H,16,18,19,20)
InChIKeyWXEKLTPZIJWLES-UHFFFAOYSA-N
MW347.09 g/mol
LogP2.91
Rot. Bonds2

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

4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide (PubChem CID 107332970) has the molecular formula C11H6BrF3N4O and a molecular weight of 347.09 g/mol. Its IUPAC name is 4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide
PubChem CID107332970
Molecular FormulaC11H6BrF3N4O
Molecular Weight347.09 g/mol
Exact Mass345.97
IUPAC Name4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1nccnn1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H6BrF3N4O/c12-6-1-2-7(8(5-6)11(13,14)15)9(20)18-10-16-3-4-17-19-10/h1-5H,(H,16,18,19,20)
InChIKeyWXEKLTPZIJWLES-UHFFFAOYSA-N
XLogP2.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.09
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide
CID 114388210
4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide
CID 114387361
4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide
CID 103924957
4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387340
4-bromo-N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 103926239
4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide
CID 103924603
4-bromo-N-methoxy-2-(trifluoromethyl)benzamide
CID 103925205
4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387337
2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
CID 105387673
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 60790795
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-bromo-2-(trifluoromethyl)benzamide
CID 107332820

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide (CID 107332970) is 4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide is O=C(Nc1nccnn1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is WXEKLTPZIJWLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3N4O/c12-6-1-2-7(8(5-6)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-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide?
4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 347.09 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 107332970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).