6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione

C10H7BrN4O2 — CID 50944701

IUPAC6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione
SMILESO=C1N(c2ccc(Br)cc2)Cc2n[nH]c(=O)n21
InChIInChI=1S/C10H7BrN4O2/c11-6-1-3-7(4-2-6)14-5-8-12-13-9(16)15(8)10(14)17/h1-4H,5H2,(H,13,16)
InChIKeyNGIJPXQAPWQXMS-UHFFFAOYSA-N
MW295.10 g/mol
LogP1.32
Rot. Bonds1

About 6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione

6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione (PubChem CID 50944701) has the molecular formula C10H7BrN4O2 and a molecular weight of 295.10 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione.

Molecular Properties

Compound Name6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione
PubChem CID50944701
Molecular FormulaC10H7BrN4O2
Molecular Weight295.10 g/mol
Exact Mass293.98
IUPAC Name6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione
SMILESO=C1N(c2ccc(Br)cc2)Cc2n[nH]c(=O)n21
InChIInChI=1S/C10H7BrN4O2/c11-6-1-3-7(4-2-6)14-5-8-12-13-9(16)15(8)10(14)17/h1-4H,5H2,(H,13,16)
InChIKeyNGIJPXQAPWQXMS-UHFFFAOYSA-N
XLogP1.32
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
The IUPAC name of 6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione (CID 50944701) is 6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione.
What is the SMILES notation for 6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
The canonical SMILES for 6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione is O=C1N(c2ccc(Br)cc2)Cc2n[nH]c(=O)n21.
What is the InChIKey of 6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
The InChIKey is NGIJPXQAPWQXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4O2/c11-6-1-3-7(4-2-6)14-5-8-12-13-9(16)15(8)10(14)17/h1-4H,5H2,(H,13,16).
What are the key properties of 6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione?
6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione has a molecular weight of 295.10 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2,7-dihydroimidazo[5,1-c][1,2,4]triazole-3,5-dione is sourced from PubChem (CID 50944701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).