5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide

C10H7FN4O3 — CID 68606433

IUPAC5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide
SMILESNC(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1F
InChIInChI=1S/C10H7FN4O3/c11-7-2-1-5(3-6(7)9(12)17)15-10(18)14-8(16)4-13-15/h1-4H,(H2,12,17)(H,14,16,18)
InChIKeyDACAYYJNUYCKMR-UHFFFAOYSA-N
MW250.19 g/mol
LogP-0.84
Rot. Bonds2

About 5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide

5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide (PubChem CID 68606433) has the molecular formula C10H7FN4O3 and a molecular weight of 250.19 g/mol. Its IUPAC name is 5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide
PubChem CID68606433
Molecular FormulaC10H7FN4O3
Molecular Weight250.19 g/mol
Exact Mass250.05
IUPAC Name5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide
SMILESNC(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1F
InChIInChI=1S/C10H7FN4O3/c11-7-2-1-5(3-6(7)9(12)17)15-10(18)14-8(16)4-13-15/h1-4H,(H2,12,17)(H,14,16,18)
InChIKeyDACAYYJNUYCKMR-UHFFFAOYSA-N
XLogP-0.84
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide?
The IUPAC name of 5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide (CID 68606433) is 5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide?
The canonical SMILES for 5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide is NC(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1F.
What is the InChIKey of 5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide?
The InChIKey is DACAYYJNUYCKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O3/c11-7-2-1-5(3-6(7)9(12)17)15-10(18)14-8(16)4-13-15/h1-4H,(H2,12,17)(H,14,16,18).
What are the key properties of 5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide?
5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide has a molecular weight of 250.19 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dioxo-1,2,4-triazin-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 68606433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).