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

C7H7N3O3 — CID 139664502

IUPAC1,3-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=Cn1c(=O)[nH]c(=O)n(C=C)c1=O
InChIInChI=1S/C7H7N3O3/c1-3-9-5(11)8-6(12)10(4-2)7(9)13/h3-4H,1-2H2,(H,8,11,12)
InChIKeyKJKKZOHPDFPNCD-UHFFFAOYSA-N
MW181.15 g/mol
LogP-1.10
Rot. Bonds2

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

1,3-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 139664502) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is 1,3-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID139664502
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name1,3-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=Cn1c(=O)[nH]c(=O)n(C=C)c1=O
InChIInChI=1S/C7H7N3O3/c1-3-9-5(11)8-6(12)10(4-2)7(9)13/h3-4H,1-2H2,(H,8,11,12)
InChIKeyKJKKZOHPDFPNCD-UHFFFAOYSA-N
XLogP-1.10
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione (CID 139664502) is 1,3-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione is C=Cn1c(=O)[nH]c(=O)n(C=C)c1=O.
What is the InChIKey of 1,3-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is KJKKZOHPDFPNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c1-3-9-5(11)8-6(12)10(4-2)7(9)13/h3-4H,1-2H2,(H,8,11,12).
What are the key properties of 1,3-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione?
1,3-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 181.15 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 139664502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).