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

C13H13BrN4O2 — CID 155559229

IUPAC6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)n1c(=O)[nH]c2cn(-c3ccc(Br)cc3)c(=O)n21
InChIInChI=1S/C13H13BrN4O2/c1-8(2)17-12(19)15-11-7-16(13(20)18(11)17)10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,15,19)
InChIKeyRFUZRKFDTGVBJF-UHFFFAOYSA-N
MW337.18 g/mol
LogP1.92
Rot. Bonds2

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

6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 155559229) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID155559229
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)n1c(=O)[nH]c2cn(-c3ccc(Br)cc3)c(=O)n21
InChIInChI=1S/C13H13BrN4O2/c1-8(2)17-12(19)15-11-7-16(13(20)18(11)17)10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,15,19)
InChIKeyRFUZRKFDTGVBJF-UHFFFAOYSA-N
XLogP1.92
TPSA64.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 155559229) is 6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is CC(C)n1c(=O)[nH]c2cn(-c3ccc(Br)cc3)c(=O)n21.
What is the InChIKey of 6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is RFUZRKFDTGVBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-8(2)17-12(19)15-11-7-16(13(20)18(11)17)10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,15,19).
What are the key properties of 6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 337.18 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 155559229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).