1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione

C3Cl3N3O3 — CID 6909

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IUPAC1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl
InChIInChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11
InChIKeyYRIZYWQGELRKNT-UHFFFAOYSA-N
MW232.41 g/mol
LogP-0.82
Rot. Bonds

About 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione

1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione (PubChem CID 6909) has the molecular formula C3Cl3N3O3 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
PubChem CID6909
Molecular FormulaC3Cl3N3O3
Molecular Weight232.41 g/mol
Exact Mass230.90
IUPAC Name1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl
InChIInChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11
InChIKeyYRIZYWQGELRKNT-UHFFFAOYSA-N
XLogP-0.82
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dichloroisocyanurate
CID 16726
Potassium dichloroisocyanurate
CID 517106
3,5-Dichloro-2-hydroxy-4,6-s-triazinedione sodium salt
CID 517121
Sodium trichlorocyanurate
CID 169072
Chlorobromoisocyanurate
CID 17757822
Trione hydrochloride
CID 129781883
CID 73555694
CID 73555694
CID 5359701
CID 5359701
1,3-Dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione
CID 135033138
1,3,5-Trichloro-1,3,5-triazinane-2,4,6-trione;hydrochloride
CID 20056691
1-Chloro-1,3,5-triazinan-3-ium-2,4,6-trione dichloride
CID 57226999
CID 87901742
CID 87901742

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione (CID 6909) is 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione is O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl.
What is the InChIKey of 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione?
The InChIKey is YRIZYWQGELRKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11.
What are the key properties of 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione?
1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione has a molecular weight of 232.41 g/mol, XLogP of -0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 6909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).