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

C13H13BrN4O2 — CID 45495348

IUPAC6-(4-bromophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)n1c(=O)nc2n1C(=O)N(c1ccc(Br)cc1)C2
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/h3-6,8H,7H2,1-2H3
InChIKeyZYOXVHZTUUNFJU-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.38
Rot. Bonds2

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

6-(4-bromophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 45495348) 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-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name6-(4-bromophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID45495348
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name6-(4-bromophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCC(C)n1c(=O)nc2n1C(=O)N(c1ccc(Br)cc1)C2
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/h3-6,8H,7H2,1-2H3
InChIKeyZYOXVHZTUUNFJU-UHFFFAOYSA-N
XLogP2.38
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Bromophenyl)-3-methylimidazolidin-2-one
CID 82648483
6-(4-bromophenyl)-3-propan-2-yl-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 155559229
6-phenyl-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 16767041
6-(4-bromophenyl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 39043814
methyl [6-(4-bromophenyl)-2,5-dioxo-2,5,6,7-tetrahydro-3H-imidazo[1,5-b][1,2,4]triazol-3-yl]acetate
CID 45494363
(3E)-1-(4-bromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
CID 12448970
6-phenyl-3-(propan-2-yl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 39313506
3-cyclopentyl-6-(4-fluorophenyl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 45491246
6-(4-fluorophenyl)-3-(2-methylpropyl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 45493160
6-(4-fluorophenyl)-3-(propan-2-yl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 45494400
6-(4-fluorophenyl)-3-(3-methylbutyl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 49656701
6-(4-bromophenyl)-6,7-dihydro-3H-imidazo[5,1-c][1,2,4]triazole-3,5(2H)-dione
CID 50944701

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 6-(4-bromophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 45495348) is 6-(4-bromophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 6-(4-bromophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 6-(4-bromophenyl)-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(Br)cc1)C2.
What is the InChIKey of 6-(4-bromophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is ZYOXVHZTUUNFJU-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/h3-6,8H,7H2,1-2H3.
What are the key properties of 6-(4-bromophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
6-(4-bromophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 337.18 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-3-propan-2-yl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 45495348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).