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

C14H15FN4O2 — CID 155550165

IUPAC6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)Cn1c(=O)[nH]c2cn(-c3ccc(F)cc3)c(=O)n21
InChIInChI=1S/C14H15FN4O2/c1-9(2)7-18-13(20)16-12-8-17(14(21)19(12)18)11-5-3-10(15)4-6-11/h3-6,8-9H,7H2,1-2H3,(H,16,20)
InChIKeySDICQFKJCCEFEC-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.38
Rot. Bonds3

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

6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 155550165) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID155550165
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)Cn1c(=O)[nH]c2cn(-c3ccc(F)cc3)c(=O)n21
InChIInChI=1S/C14H15FN4O2/c1-9(2)7-18-13(20)16-12-8-17(14(21)19(12)18)11-5-3-10(15)4-6-11/h3-6,8-9H,7H2,1-2H3,(H,16,20)
InChIKeySDICQFKJCCEFEC-UHFFFAOYSA-N
XLogP1.38
TPSA64.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 155550165) is 6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is CC(C)Cn1c(=O)[nH]c2cn(-c3ccc(F)cc3)c(=O)n21.
What is the InChIKey of 6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is SDICQFKJCCEFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-9(2)7-18-13(20)16-12-8-17(14(21)19(12)18)11-5-3-10(15)4-6-11/h3-6,8-9H,7H2,1-2H3,(H,16,20).
What are the key properties of 6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 290.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(2-methylpropyl)-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 155550165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).