6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione

C9H6BrN3O2 — CID 10778277

IUPAC6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(-c2ccc(Br)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H6BrN3O2/c10-6-3-1-5(2-4-6)7-11-8(14)13-9(15)12-7/h1-4H,(H2,11,12,13,14,15)
InChIKeyDMGLLALVAGDXHZ-UHFFFAOYSA-N
MW268.07 g/mol
LogP0.89
Rot. Bonds1

About 6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione

6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione (PubChem CID 10778277) has the molecular formula C9H6BrN3O2 and a molecular weight of 268.07 g/mol. Its IUPAC name is 6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione
PubChem CID10778277
Molecular FormulaC9H6BrN3O2
Molecular Weight268.07 g/mol
Exact Mass266.96
IUPAC Name6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(-c2ccc(Br)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H6BrN3O2/c10-6-3-1-5(2-4-6)7-11-8(14)13-9(15)12-7/h1-4H,(H2,11,12,13,14,15)
InChIKeyDMGLLALVAGDXHZ-UHFFFAOYSA-N
XLogP0.89
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione (CID 10778277) is 6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione is O=c1nc(-c2ccc(Br)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione?
The InChIKey is DMGLLALVAGDXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O2/c10-6-3-1-5(2-4-6)7-11-8(14)13-9(15)12-7/h1-4H,(H2,11,12,13,14,15).
What are the key properties of 6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione?
6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 268.07 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 10778277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).