6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

C13H13FN4O2 — CID 45494400

IUPAC6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)n1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2
InChIInChI=1S/C13H13FN4O2/c1-8(2)17-12(19)15-11-7-16(13(20)18(11)17)10-5-3-9(14)4-6-10/h3-6,8H,7H2,1-2H3
InChIKeyRQLYETUZFNDYJE-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.75
Rot. Bonds2

About 6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 45494400) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID45494400
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)n1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2
InChIInChI=1S/C13H13FN4O2/c1-8(2)17-12(19)15-11-7-16(13(20)18(11)17)10-5-3-9(14)4-6-10/h3-6,8H,7H2,1-2H3
InChIKeyRQLYETUZFNDYJE-UHFFFAOYSA-N
XLogP1.75
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 45494400) is 6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is CC(C)n1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2.
What is the InChIKey of 6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is RQLYETUZFNDYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-8(2)17-12(19)15-11-7-16(13(20)18(11)17)10-5-3-9(14)4-6-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 276.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 45494400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).