1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione

C4H5N3O4 — CID 14549084

IUPAC1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(CO)c(=O)[nH]1
InChIInChI=1S/C4H5N3O4/c8-1-7-3(10)5-2(9)6-4(7)11/h8H,1H2,(H2,5,6,9,10,11)
InChIKeyYBUHIGFHWQQVQR-UHFFFAOYSA-N
MW159.10 g/mol
LogP-2.83
Rot. Bonds1

About 1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione

1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 14549084) has the molecular formula C4H5N3O4 and a molecular weight of 159.10 g/mol. Its IUPAC name is 1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID14549084
Molecular FormulaC4H5N3O4
Molecular Weight159.10 g/mol
Exact Mass159.03
IUPAC Name1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
SMILESO=c1[nH]c(=O)n(CO)c(=O)[nH]1
InChIInChI=1S/C4H5N3O4/c8-1-7-3(10)5-2(9)6-4(7)11/h8H,1H2,(H2,5,6,9,10,11)
InChIKeyYBUHIGFHWQQVQR-UHFFFAOYSA-N
XLogP-2.83
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.10
LogP ≤ 5-2.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione (CID 14549084) is 1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione is O=c1[nH]c(=O)n(CO)c(=O)[nH]1.
What is the InChIKey of 1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is YBUHIGFHWQQVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O4/c8-1-7-3(10)5-2(9)6-4(7)11/h8H,1H2,(H2,5,6,9,10,11).
What are the key properties of 1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione?
1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 159.10 g/mol, XLogP of -2.83, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 14549084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).