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

C10H7BrN4O2 — CID 39043814

IUPAC6-(4-bromophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESO=C1N(c2ccc(Br)cc2)Cc2nc(=O)[nH]n21
InChIInChI=1S/C10H7BrN4O2/c11-6-1-3-7(4-2-6)14-5-8-12-9(16)13-15(8)10(14)17/h1-4H,5H2,(H,13,16)
InChIKeyCABUZBMFIHFZGY-UHFFFAOYSA-N
MW295.10 g/mol
LogP1.32
Rot. Bonds1

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

6-(4-bromophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 39043814) has the molecular formula C10H7BrN4O2 and a molecular weight of 295.10 g/mol. Its IUPAC name is 6-(4-bromophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-bromophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID39043814
Molecular FormulaC10H7BrN4O2
Molecular Weight295.10 g/mol
Exact Mass293.98
IUPAC Name6-(4-bromophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESO=C1N(c2ccc(Br)cc2)Cc2nc(=O)[nH]n21
InChIInChI=1S/C10H7BrN4O2/c11-6-1-3-7(4-2-6)14-5-8-12-9(16)13-15(8)10(14)17/h1-4H,5H2,(H,13,16)
InChIKeyCABUZBMFIHFZGY-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

Analyze 6-(4-bromophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 155545444
CID 155545444
CID 155555896
CID 155555896
CID 16767041
CID 16767041
CID 45494363
CID 45494363
CID 45496053
CID 45496053
CID 45495348
CID 45495348
CID 50944701
CID 50944701
CID 16767050
CID 16767050
CID 16767042
CID 16767042
CID 67376183
CID 67376183
CID 153973110
CID 153973110
CID 154092874
CID 154092874

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-bromophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 39043814) is 6-(4-bromophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-bromophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-bromophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione is O=C1N(c2ccc(Br)cc2)Cc2nc(=O)[nH]n21.
What is the InChIKey of 6-(4-bromophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is CABUZBMFIHFZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4O2/c11-6-1-3-7(4-2-6)14-5-8-12-9(16)13-15(8)10(14)17/h1-4H,5H2,(H,13,16).
What are the key properties of 6-(4-bromophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-bromophenyl)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-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)-3,7-dihydroimidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 39043814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).