potassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione

C3HCl2KN3O3+ — CID 23617705

IUPACpotassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(Cl)c(=O)n1Cl.[K+]
InChIInChI=1S/C3HCl2N3O3.K/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1
InChIKeyIFIDXBCRSWOUSB-UHFFFAOYSA-N
MW237.06 g/mol
LogP-4.29
Rot. Bonds

About potassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione

potassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione (PubChem CID 23617705) has the molecular formula C3HCl2KN3O3+ and a molecular weight of 237.06 g/mol. Its IUPAC name is potassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Namepotassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione
PubChem CID23617705
Molecular FormulaC3HCl2KN3O3+
Molecular Weight237.06 g/mol
Exact Mass235.90
IUPAC Namepotassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(Cl)c(=O)n1Cl.[K+]
InChIInChI=1S/C3HCl2N3O3.K/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1
InChIKeyIFIDXBCRSWOUSB-UHFFFAOYSA-N
XLogP-4.29
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 5-4.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of potassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione (CID 23617705) is potassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for potassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for potassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)n(Cl)c(=O)n1Cl.[K+].
What is the InChIKey of potassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione?
The InChIKey is IFIDXBCRSWOUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl2N3O3.K/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1.
What are the key properties of potassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione?
potassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione has a molecular weight of 237.06 g/mol, XLogP of -4.29, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,3-dichloro-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 23617705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).