6-fluoro-2-methyl-1,2,4-triazine-3,5-dione

C4H4FN3O2 — CID 58226946

IUPAC6-fluoro-2-methyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(F)c(=O)[nH]c1=O
InChIInChI=1S/C4H4FN3O2/c1-8-4(10)6-3(9)2(5)7-8/h1H3,(H,6,9,10)
InChIKeyQXIWZBAAGOYDHL-UHFFFAOYSA-N
MW145.09 g/mol
LogP-1.39
Rot. Bonds

About 6-fluoro-2-methyl-1,2,4-triazine-3,5-dione

6-fluoro-2-methyl-1,2,4-triazine-3,5-dione (PubChem CID 58226946) has the molecular formula C4H4FN3O2 and a molecular weight of 145.09 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-fluoro-2-methyl-1,2,4-triazine-3,5-dione
PubChem CID58226946
Molecular FormulaC4H4FN3O2
Molecular Weight145.09 g/mol
Exact Mass145.03
IUPAC Name6-fluoro-2-methyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(F)c(=O)[nH]c1=O
InChIInChI=1S/C4H4FN3O2/c1-8-4(10)6-3(9)2(5)7-8/h1H3,(H,6,9,10)
InChIKeyQXIWZBAAGOYDHL-UHFFFAOYSA-N
XLogP-1.39
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.09
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-fluoro-2-methyl-1,2,4-triazine-3,5-dione (CID 58226946) is 6-fluoro-2-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-fluoro-2-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-fluoro-2-methyl-1,2,4-triazine-3,5-dione is Cn1nc(F)c(=O)[nH]c1=O.
What is the InChIKey of 6-fluoro-2-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is QXIWZBAAGOYDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3O2/c1-8-4(10)6-3(9)2(5)7-8/h1H3,(H,6,9,10).
What are the key properties of 6-fluoro-2-methyl-1,2,4-triazine-3,5-dione?
6-fluoro-2-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 145.09 g/mol, XLogP of -1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 58226946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).