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

C3H5N3O4 — CID 22011629

IUPAC1,3,5-triazinane-2,4,6-trione;hydrate
SMILESO.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C3H3N3O3.H2O/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);1H2
InChIKeyGJULXWIYMRYQKZ-UHFFFAOYSA-N
MW147.09 g/mol
LogP-3.07
Rot. Bonds

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

1,3,5-triazinane-2,4,6-trione;hydrate (PubChem CID 22011629) has the molecular formula C3H5N3O4 and a molecular weight of 147.09 g/mol. Its IUPAC name is 1,3,5-triazinane-2,4,6-trione;hydrate.

Molecular Properties

Compound Name1,3,5-triazinane-2,4,6-trione;hydrate
PubChem CID22011629
Molecular FormulaC3H5N3O4
Molecular Weight147.09 g/mol
Exact Mass147.03
IUPAC Name1,3,5-triazinane-2,4,6-trione;hydrate
SMILESO.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C3H3N3O3.H2O/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);1H2
InChIKeyGJULXWIYMRYQKZ-UHFFFAOYSA-N
XLogP-3.07
TPSA130.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.09
LogP ≤ 5-3.07
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;hydrate?
The IUPAC name of 1,3,5-triazinane-2,4,6-trione;hydrate (CID 22011629) is 1,3,5-triazinane-2,4,6-trione;hydrate.
What is the SMILES notation for 1,3,5-triazinane-2,4,6-trione;hydrate?
The canonical SMILES for 1,3,5-triazinane-2,4,6-trione;hydrate is O.O=c1[nH]c(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 1,3,5-triazinane-2,4,6-trione;hydrate?
The InChIKey is GJULXWIYMRYQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.H2O/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);1H2.
What are the key properties of 1,3,5-triazinane-2,4,6-trione;hydrate?
1,3,5-triazinane-2,4,6-trione;hydrate has a molecular weight of 147.09 g/mol, XLogP of -3.07, 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;hydrate is sourced from PubChem (CID 22011629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).