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

C3HCl2N3O3 — CID 16726

IUPAC1,3-dichloro-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(Cl)c(=O)n1Cl
InChIInChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)
InChIKeyCEJLBZWIKQJOAT-UHFFFAOYSA-N
MW197.97 g/mol
LogP-1.30
Rot. Bonds

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

1,3-dichloro-1,3,5-triazinane-2,4,6-trione (PubChem CID 16726) has the molecular formula C3HCl2N3O3 and a molecular weight of 197.97 g/mol. Its IUPAC name is 1,3-dichloro-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dichloro-1,3,5-triazinane-2,4,6-trione
PubChem CID16726
Molecular FormulaC3HCl2N3O3
Molecular Weight197.97 g/mol
Exact Mass196.94
IUPAC Name1,3-dichloro-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(Cl)c(=O)n1Cl
InChIInChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)
InChIKeyCEJLBZWIKQJOAT-UHFFFAOYSA-N
XLogP-1.30
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.97
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-dichloro-1,3,5-triazinane-2,4,6-trione (CID 16726) is 1,3-dichloro-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dichloro-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-dichloro-1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)n(Cl)c(=O)n1Cl.
What is the InChIKey of 1,3-dichloro-1,3,5-triazinane-2,4,6-trione?
The InChIKey is CEJLBZWIKQJOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10).
What are the key properties of 1,3-dichloro-1,3,5-triazinane-2,4,6-trione?
1,3-dichloro-1,3,5-triazinane-2,4,6-trione has a molecular weight of 197.97 g/mol, XLogP of -1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 16726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).