4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione

C11H10FN3O2 — CID 141219492

IUPAC4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione
SMILESCc1n[nH]c(=O)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C11H10FN3O2/c1-7-10(16)15(11(17)14-13-7)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,14,17)
InChIKeyUSVJUVKZSWUJPV-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.43
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione

4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione (PubChem CID 141219492) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione
PubChem CID141219492
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione
SMILESCc1n[nH]c(=O)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C11H10FN3O2/c1-7-10(16)15(11(17)14-13-7)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,14,17)
InChIKeyUSVJUVKZSWUJPV-UHFFFAOYSA-N
XLogP0.43
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione (CID 141219492) is 4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione is Cc1n[nH]c(=O)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is USVJUVKZSWUJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-7-10(16)15(11(17)14-13-7)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,14,17).
What are the key properties of 4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione?
4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 235.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-6-methyl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 141219492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).