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

C11H9FN4O — CID 114387340

IUPAC4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide
SMILESCc1cc(F)ccc1C(=O)Nc1nccnn1
InChIInChI=1S/C11H9FN4O/c1-7-6-8(12)2-3-9(7)10(17)15-11-13-4-5-14-16-11/h2-6H,1H3,(H,13,15,16,17)
InChIKeyWEVUBHGMRUXBOO-UHFFFAOYSA-N
MW232.22 g/mol
LogP1.57
Rot. Bonds2

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

4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide (PubChem CID 114387340) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide
PubChem CID114387340
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide
SMILESCc1cc(F)ccc1C(=O)Nc1nccnn1
InChIInChI=1S/C11H9FN4O/c1-7-6-8(12)2-3-9(7)10(17)15-11-13-4-5-14-16-11/h2-6H,1H3,(H,13,15,16,17)
InChIKeyWEVUBHGMRUXBOO-UHFFFAOYSA-N
XLogP1.57
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387337
2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114386754
4-bromo-2-hydroxy-N-(1,2,4-triazin-3-yl)benzamide
CID 114388210
2-amino-3-fluoro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
CID 105387673
N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745097
2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389471
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
3-amino-4-fluoro-N-(1,2,4-triazin-3-yl)benzamide
CID 114386756
4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide
CID 107332970
4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 115745629
4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 103872165

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide (CID 114387340) is 4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide is Cc1cc(F)ccc1C(=O)Nc1nccnn1.
What is the InChIKey of 4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide?
The InChIKey is WEVUBHGMRUXBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c1-7-6-8(12)2-3-9(7)10(17)15-11-13-4-5-14-16-11/h2-6H,1H3,(H,13,15,16,17).
What are the key properties of 4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide?
4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide has a molecular weight of 232.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide is sourced from PubChem (CID 114387340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).