2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide

C11H11FN4O2 — CID 138652617

IUPAC2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide
SMILESCC1=NNC(=O)N(NC(=O)c2ccccc2F)C1
InChIInChI=1S/C11H11FN4O2/c1-7-6-16(11(18)14-13-7)15-10(17)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,14,18)(H,15,17)
InChIKeyJWCJMQSVDFKUTF-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.87
Rot. Bonds2

About 2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide

2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide (PubChem CID 138652617) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide
PubChem CID138652617
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide
SMILESCC1=NNC(=O)N(NC(=O)c2ccccc2F)C1
InChIInChI=1S/C11H11FN4O2/c1-7-6-16(11(18)14-13-7)15-10(17)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,14,18)(H,15,17)
InChIKeyJWCJMQSVDFKUTF-UHFFFAOYSA-N
XLogP0.87
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide?
The IUPAC name of 2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide (CID 138652617) is 2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide is CC1=NNC(=O)N(NC(=O)c2ccccc2F)C1.
What is the InChIKey of 2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide?
The InChIKey is JWCJMQSVDFKUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-7-6-16(11(18)14-13-7)15-10(17)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,14,18)(H,15,17).
What are the key properties of 2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide?
2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide has a molecular weight of 250.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide is sourced from PubChem (CID 138652617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).