1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione

C6H7N3O3 — CID 139664501

IUPAC1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione
SMILESC=Cn1c(=O)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C6H7N3O3/c1-3-9-5(11)7-4(10)8(2)6(9)12/h3H,1H2,2H3,(H,7,10,11)
InChIKeyAWGPULWRARKLER-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.66
Rot. Bonds1

About 1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione

1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 139664501) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID139664501
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione
SMILESC=Cn1c(=O)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C6H7N3O3/c1-3-9-5(11)7-4(10)8(2)6(9)12/h3H,1H2,2H3,(H,7,10,11)
InChIKeyAWGPULWRARKLER-UHFFFAOYSA-N
XLogP-1.66
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione (CID 139664501) is 1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione is C=Cn1c(=O)[nH]c(=O)n(C)c1=O.
What is the InChIKey of 1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is AWGPULWRARKLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-3-9-5(11)7-4(10)8(2)6(9)12/h3H,1H2,2H3,(H,7,10,11).
What are the key properties of 1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione?
1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 169.14 g/mol, XLogP of -1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 139664501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).