6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione

C10H7FN4O2 — CID 16767050

IUPAC6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESO=C1N(c2ccc(F)cc2)Cc2nc(=O)[nH]n21
InChIInChI=1S/C10H7FN4O2/c11-6-1-3-7(4-2-6)14-5-8-12-9(16)13-15(8)10(14)17/h1-4H,5H2,(H,13,16)
InChIKeyJYVKOZYVJSBGCS-UHFFFAOYSA-N
MW234.19 g/mol
LogP0.70
Rot. Bonds1

About 6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione

6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 16767050) has the molecular formula C10H7FN4O2 and a molecular weight of 234.19 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID16767050
Molecular FormulaC10H7FN4O2
Molecular Weight234.19 g/mol
Exact Mass234.06
IUPAC Name6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESO=C1N(c2ccc(F)cc2)Cc2nc(=O)[nH]n21
InChIInChI=1S/C10H7FN4O2/c11-6-1-3-7(4-2-6)14-5-8-12-9(16)13-15(8)10(14)17/h1-4H,5H2,(H,13,16)
InChIKeyJYVKOZYVJSBGCS-UHFFFAOYSA-N
XLogP0.70
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-2-methyl-7H-imidazo[5,1-c][1,2,4]triazole-3,5-dione
CID 50947812
6-(4-fluorophenyl)-3-prop-2-ynyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 39349966
1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one
CID 129202932
1-(4-fluorophenyl)piperazine-2,5-dione
CID 64955202
1-ethyl-3-(4-fluorophenyl)imidazolidin-2-one
CID 23201880
1-(4-fluorophenyl)-3,4-dihydro-2H-azepin-7-one
CID 67518065
1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 155023000
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one
CID 10017519
6-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 16767049
3-bromo-1-(4-fluorophenyl)pyrrolidin-2-one
CID 63788392
3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
CID 60835786
4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 68614609

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 16767050) is 6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione is O=C1N(c2ccc(F)cc2)Cc2nc(=O)[nH]n21.
What is the InChIKey of 6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is JYVKOZYVJSBGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O2/c11-6-1-3-7(4-2-6)14-5-8-12-9(16)13-15(8)10(14)17/h1-4H,5H2,(H,13,16).
What are the key properties of 6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 234.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 16767050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).