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

C15H15FN4O2 — CID 45491246

IUPAC3-cyclopentyl-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESO=C1N(c2ccc(F)cc2)Cc2nc(=O)n(C3CCCC3)n21
InChIInChI=1S/C15H15FN4O2/c16-10-5-7-11(8-6-10)18-9-13-17-14(21)19(20(13)15(18)22)12-3-1-2-4-12/h5-8,12H,1-4,9H2
InChIKeySTDIKVZWKQAOKX-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.29
Rot. Bonds2

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

3-cyclopentyl-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 45491246) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-cyclopentyl-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name3-cyclopentyl-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID45491246
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name3-cyclopentyl-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESO=C1N(c2ccc(F)cc2)Cc2nc(=O)n(C3CCCC3)n21
InChIInChI=1S/C15H15FN4O2/c16-10-5-7-11(8-6-10)18-9-13-17-14(21)19(20(13)15(18)22)12-3-1-2-4-12/h5-8,12H,1-4,9H2
InChIKeySTDIKVZWKQAOKX-UHFFFAOYSA-N
XLogP2.29
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 3-cyclopentyl-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 45491246) is 3-cyclopentyl-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 3-cyclopentyl-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 3-cyclopentyl-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is O=C1N(c2ccc(F)cc2)Cc2nc(=O)n(C3CCCC3)n21.
What is the InChIKey of 3-cyclopentyl-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is STDIKVZWKQAOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-10-5-7-11(8-6-10)18-9-13-17-14(21)19(20(13)15(18)22)12-3-1-2-4-12/h5-8,12H,1-4,9H2.
What are the key properties of 3-cyclopentyl-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
3-cyclopentyl-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 302.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-(4-fluorophenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 45491246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).