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

C5H7N3O4 — CID 20750457

IUPAC1-(hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)[nH]c(=O)n(CO)c1=O
InChIInChI=1S/C5H7N3O4/c1-7-3(10)6-4(11)8(2-9)5(7)12/h9H,2H2,1H3,(H,6,10,11)
InChIKeyHRPJUHCUIAQJOH-UHFFFAOYSA-N
MW173.13 g/mol
LogP-2.81
Rot. Bonds1

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

1-(hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 20750457) has the molecular formula C5H7N3O4 and a molecular weight of 173.13 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID20750457
Molecular FormulaC5H7N3O4
Molecular Weight173.13 g/mol
Exact Mass173.04
IUPAC Name1-(hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)[nH]c(=O)n(CO)c1=O
InChIInChI=1S/C5H7N3O4/c1-7-3(10)6-4(11)8(2-9)5(7)12/h9H,2H2,1H3,(H,6,10,11)
InChIKeyHRPJUHCUIAQJOH-UHFFFAOYSA-N
XLogP-2.81
TPSA97.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-2.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione (CID 20750457) is 1-(hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione is Cn1c(=O)[nH]c(=O)n(CO)c1=O.
What is the InChIKey of 1-(hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is HRPJUHCUIAQJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O4/c1-7-3(10)6-4(11)8(2-9)5(7)12/h9H,2H2,1H3,(H,6,10,11).
What are the key properties of 1-(hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione?
1-(hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 173.13 g/mol, XLogP of -2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 20750457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).