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

C10H7FN4O2 — CID 155550933

IUPAC6-(4-fluorophenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione
SMILESO=c1[nH][nH]c2cn(-c3ccc(F)cc3)c(=O)n12
InChIInChI=1S/C10H7FN4O2/c11-6-1-3-7(4-2-6)14-5-8-12-13-9(16)15(8)10(14)17/h1-5,12H,(H,13,16)
InChIKeyLAZZJKMUWCDNDY-UHFFFAOYSA-N
MW234.19 g/mol
LogP0.25
Rot. Bonds1

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

6-(4-fluorophenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione (PubChem CID 155550933) has the molecular formula C10H7FN4O2 and a molecular weight of 234.19 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione
PubChem CID155550933
Molecular FormulaC10H7FN4O2
Molecular Weight234.19 g/mol
Exact Mass234.06
IUPAC Name6-(4-fluorophenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione
SMILESO=c1[nH][nH]c2cn(-c3ccc(F)cc3)c(=O)n12
InChIInChI=1S/C10H7FN4O2/c11-6-1-3-7(4-2-6)14-5-8-12-13-9(16)15(8)10(14)17/h1-5,12H,(H,13,16)
InChIKeyLAZZJKMUWCDNDY-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-(4-fluorophenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
The IUPAC name of 6-(4-fluorophenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione (CID 155550933) is 6-(4-fluorophenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
The canonical SMILES for 6-(4-fluorophenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione is O=c1[nH][nH]c2cn(-c3ccc(F)cc3)c(=O)n12.
What is the InChIKey of 6-(4-fluorophenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
The InChIKey is LAZZJKMUWCDNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O2/c11-6-1-3-7(4-2-6)14-5-8-12-13-9(16)15(8)10(14)17/h1-5,12H,(H,13,16).
What are the key properties of 6-(4-fluorophenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
6-(4-fluorophenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-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-(4-fluorophenyl)-1,2-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione is sourced from PubChem (CID 155550933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).