3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one

C11H9FN4O — CID 154400027

IUPAC3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccc(F)cc2)nnc2n1CCN2
InChIInChI=1S/C11H9FN4O/c12-8-3-1-7(2-4-8)9-10(17)16-6-5-13-11(16)15-14-9/h1-4H,5-6H2,(H,13,15)
InChIKeyQUDKIAYXUQIWQP-UHFFFAOYSA-N
MW232.22 g/mol
LogP0.87
Rot. Bonds1

About 3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one

3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 154400027) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID154400027
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccc(F)cc2)nnc2n1CCN2
InChIInChI=1S/C11H9FN4O/c12-8-3-1-7(2-4-8)9-10(17)16-6-5-13-11(16)15-14-9/h1-4H,5-6H2,(H,13,15)
InChIKeyQUDKIAYXUQIWQP-UHFFFAOYSA-N
XLogP0.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one (CID 154400027) is 3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one is O=c1c(-c2ccc(F)cc2)nnc2n1CCN2.
What is the InChIKey of 3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is QUDKIAYXUQIWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c12-8-3-1-7(2-4-8)9-10(17)16-6-5-13-11(16)15-14-9/h1-4H,5-6H2,(H,13,15).
What are the key properties of 3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one?
3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 232.22 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7,8-dihydro-6H-imidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 154400027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).