1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione

C3HBrClN3O3 — CID 18427093

IUPAC1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(Br)c(=O)n1Cl
InChIInChI=1S/C3HBrClN3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)
InChIKeyOKNPHOXYVYNIDL-UHFFFAOYSA-N
MW242.42 g/mol
LogP-1.14
Rot. Bonds

About 1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione

1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione (PubChem CID 18427093) has the molecular formula C3HBrClN3O3 and a molecular weight of 242.42 g/mol. Its IUPAC name is 1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione
PubChem CID18427093
Molecular FormulaC3HBrClN3O3
Molecular Weight242.42 g/mol
Exact Mass240.89
IUPAC Name1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(Br)c(=O)n1Cl
InChIInChI=1S/C3HBrClN3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)
InChIKeyOKNPHOXYVYNIDL-UHFFFAOYSA-N
XLogP-1.14
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.42
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione (CID 18427093) is 1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)n(Br)c(=O)n1Cl.
What is the InChIKey of 1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione?
The InChIKey is OKNPHOXYVYNIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBrClN3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10).
What are the key properties of 1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione?
1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione has a molecular weight of 242.42 g/mol, XLogP of -1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 18427093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).