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

C3H2ClN3O3 — CID 17922

IUPAC1-chloro-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(Cl)c(=O)[nH]1
InChIInChI=1S/C3H2ClN3O3/c4-7-2(9)5-1(8)6-3(7)10/h(H2,5,6,8,9,10)
InChIKeyISAOUZVKYLHALD-UHFFFAOYSA-N
MW163.52 g/mol
LogP-1.77
Rot. Bonds

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

1-chloro-1,3,5-triazinane-2,4,6-trione (PubChem CID 17922) has the molecular formula C3H2ClN3O3 and a molecular weight of 163.52 g/mol. Its IUPAC name is 1-chloro-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-chloro-1,3,5-triazinane-2,4,6-trione
PubChem CID17922
Molecular FormulaC3H2ClN3O3
Molecular Weight163.52 g/mol
Exact Mass162.98
IUPAC Name1-chloro-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(Cl)c(=O)[nH]1
InChIInChI=1S/C3H2ClN3O3/c4-7-2(9)5-1(8)6-3(7)10/h(H2,5,6,8,9,10)
InChIKeyISAOUZVKYLHALD-UHFFFAOYSA-N
XLogP-1.77
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.52
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cyanuric acid
CID 7956
Dichloroisocyanurate
CID 16726
Potassium troclosene
CID 23617705
CID 24197163
CID 24197163
Potassium;1,3-dichloro-1,3,5-triazinane-2,4,6-trione;hydride
CID 171975744
Sodium cyanurate
CID 23721627
Sodium dichlorocyanuric acid
CID 86657659
1,3-Dichloro-1,3,5-triazinane-2,4,6-trione--water (1/2)
CID 71358185
1,3-Dichloro-1,3,5-triazinane-2,4,6-trione--water (1/1)
CID 71380181
1,3,5-triazine-2,4,6(1h,3h,5h)-trione, zinc salt
CID 86280834
Chlorobromo Isocyanuric Acid
CID 18427093
Cyanuric acid trihydrochloride
CID 66629356

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-chloro-1,3,5-triazinane-2,4,6-trione (CID 17922) is 1-chloro-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-chloro-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-chloro-1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)n(Cl)c(=O)[nH]1.
What is the InChIKey of 1-chloro-1,3,5-triazinane-2,4,6-trione?
The InChIKey is ISAOUZVKYLHALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClN3O3/c4-7-2(9)5-1(8)6-3(7)10/h(H2,5,6,8,9,10).
What are the key properties of 1-chloro-1,3,5-triazinane-2,4,6-trione?
1-chloro-1,3,5-triazinane-2,4,6-trione has a molecular weight of 163.52 g/mol, XLogP of -1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 17922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).