1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione

C12H17N3O2 — CID 15051391

IUPAC1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione
SMILESC=CCN1CN(CC=C)C(=O)N(CC=C)C1=O
InChIInChI=1S/C12H17N3O2/c1-4-7-13-10-14(8-5-2)12(17)15(9-6-3)11(13)16/h4-6H,1-3,7-10H2
InChIKeyPCDYXJDTBADWSU-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.66
Rot. Bonds6

About 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione

1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione (PubChem CID 15051391) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione
PubChem CID15051391
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione
SMILESC=CCN1CN(CC=C)C(=O)N(CC=C)C1=O
InChIInChI=1S/C12H17N3O2/c1-4-7-13-10-14(8-5-2)12(17)15(9-6-3)11(13)16/h4-6H,1-3,7-10H2
InChIKeyPCDYXJDTBADWSU-UHFFFAOYSA-N
XLogP1.66
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione (CID 15051391) is 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione is C=CCN1CN(CC=C)C(=O)N(CC=C)C1=O.
What is the InChIKey of 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is PCDYXJDTBADWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-4-7-13-10-14(8-5-2)12(17)15(9-6-3)11(13)16/h4-6H,1-3,7-10H2.
What are the key properties of 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione?
1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 235.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 15051391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).