6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione

C10H7FN4O2 — CID 155553452

IUPAC6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESO=c1[nH]c2cn(-c3cccc(F)c3)c(=O)n2[nH]1
InChIInChI=1S/C10H7FN4O2/c11-6-2-1-3-7(4-6)14-5-8-12-9(16)13-15(8)10(14)17/h1-5H,(H2,12,13,16)
InChIKeyFAFBWGWMNPOOJY-UHFFFAOYSA-N
MW234.19 g/mol
LogP0.25
Rot. Bonds1

About 6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione

6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 155553452) has the molecular formula C10H7FN4O2 and a molecular weight of 234.19 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID155553452
Molecular FormulaC10H7FN4O2
Molecular Weight234.19 g/mol
Exact Mass234.06
IUPAC Name6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESO=c1[nH]c2cn(-c3cccc(F)c3)c(=O)n2[nH]1
InChIInChI=1S/C10H7FN4O2/c11-6-2-1-3-7(4-6)14-5-8-12-9(16)13-15(8)10(14)17/h1-5H,(H2,12,13,16)
InChIKeyFAFBWGWMNPOOJY-UHFFFAOYSA-N
XLogP0.25
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 155553452) is 6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione is O=c1[nH]c2cn(-c3cccc(F)c3)c(=O)n2[nH]1.
What is the InChIKey of 6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is FAFBWGWMNPOOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O2/c11-6-2-1-3-7(4-6)14-5-8-12-9(16)13-15(8)10(14)17/h1-5H,(H2,12,13,16).
What are the key properties of 6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 234.19 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-1,3-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 155553452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).