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

C3H7N3O5 — CID 66815535

IUPAC1,3,5-triazinane-2,4,6-trione;dihydrate
SMILESO.O.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C3H3N3O3.2H2O/c7-1-4-2(8)6-3(9)5-1;;/h(H3,4,5,6,7,8,9);2*1H2
InChIKeyFFWREGAZKSCJFZ-UHFFFAOYSA-N
MW165.10 g/mol
LogP-3.90
Rot. Bonds

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

1,3,5-triazinane-2,4,6-trione;dihydrate (PubChem CID 66815535) has the molecular formula C3H7N3O5 and a molecular weight of 165.10 g/mol. Its IUPAC name is 1,3,5-triazinane-2,4,6-trione;dihydrate.

Molecular Properties

Compound Name1,3,5-triazinane-2,4,6-trione;dihydrate
PubChem CID66815535
Molecular FormulaC3H7N3O5
Molecular Weight165.10 g/mol
Exact Mass165.04
IUPAC Name1,3,5-triazinane-2,4,6-trione;dihydrate
SMILESO.O.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C3H3N3O3.2H2O/c7-1-4-2(8)6-3(9)5-1;;/h(H3,4,5,6,7,8,9);2*1H2
InChIKeyFFWREGAZKSCJFZ-UHFFFAOYSA-N
XLogP-3.90
TPSA161.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.10
LogP ≤ 5-3.90
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;dihydrate?
The IUPAC name of 1,3,5-triazinane-2,4,6-trione;dihydrate (CID 66815535) is 1,3,5-triazinane-2,4,6-trione;dihydrate.
What is the SMILES notation for 1,3,5-triazinane-2,4,6-trione;dihydrate?
The canonical SMILES for 1,3,5-triazinane-2,4,6-trione;dihydrate is O.O.O=c1[nH]c(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 1,3,5-triazinane-2,4,6-trione;dihydrate?
The InChIKey is FFWREGAZKSCJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.2H2O/c7-1-4-2(8)6-3(9)5-1;;/h(H3,4,5,6,7,8,9);2*1H2.
What are the key properties of 1,3,5-triazinane-2,4,6-trione;dihydrate?
1,3,5-triazinane-2,4,6-trione;dihydrate has a molecular weight of 165.10 g/mol, XLogP of -3.90, 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;dihydrate is sourced from PubChem (CID 66815535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).