1,3,5-triazinane-2,4,6-trione;trihydrochloride

C3H6Cl3N3O3 — CID 66629356

IUPAC1,3,5-triazinane-2,4,6-trione;trihydrochloride
SMILESCl.Cl.Cl.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C3H3N3O3.3ClH/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);3*1H
InChIKeyZYZDQXHUSKJJMK-UHFFFAOYSA-N
MW238.46 g/mol
LogP-0.98
Rot. Bonds

About 1,3,5-triazinane-2,4,6-trione;trihydrochloride

1,3,5-triazinane-2,4,6-trione;trihydrochloride (PubChem CID 66629356) has the molecular formula C3H6Cl3N3O3 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1,3,5-triazinane-2,4,6-trione;trihydrochloride.

Molecular Properties

Compound Name1,3,5-triazinane-2,4,6-trione;trihydrochloride
PubChem CID66629356
Molecular FormulaC3H6Cl3N3O3
Molecular Weight238.46 g/mol
Exact Mass236.95
IUPAC Name1,3,5-triazinane-2,4,6-trione;trihydrochloride
SMILESCl.Cl.Cl.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C3H3N3O3.3ClH/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);3*1H
InChIKeyZYZDQXHUSKJJMK-UHFFFAOYSA-N
XLogP-0.98
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.46
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazinane-2,4,6-trione;trihydrochloride?
The IUPAC name of 1,3,5-triazinane-2,4,6-trione;trihydrochloride (CID 66629356) is 1,3,5-triazinane-2,4,6-trione;trihydrochloride.
What is the SMILES notation for 1,3,5-triazinane-2,4,6-trione;trihydrochloride?
The canonical SMILES for 1,3,5-triazinane-2,4,6-trione;trihydrochloride is Cl.Cl.Cl.O=c1[nH]c(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 1,3,5-triazinane-2,4,6-trione;trihydrochloride?
The InChIKey is ZYZDQXHUSKJJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.3ClH/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);3*1H.
What are the key properties of 1,3,5-triazinane-2,4,6-trione;trihydrochloride?
1,3,5-triazinane-2,4,6-trione;trihydrochloride has a molecular weight of 238.46 g/mol, XLogP of -0.98, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazinane-2,4,6-trione;trihydrochloride is sourced from PubChem (CID 66629356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).