2,4,6-tris(prop-2-enyl)triazinane

C12H21N3 — CID 70503687

IUPAC2,4,6-tris(prop-2-enyl)triazinane
SMILESC=CCC1CC(CC=C)NN(CC=C)N1
InChIInChI=1S/C12H21N3/c1-4-7-11-10-12(8-5-2)14-15(13-11)9-6-3/h4-6,11-14H,1-3,7-10H2
InChIKeyWUPLLDJXVWZUKJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.78
Rot. Bonds6

About 2,4,6-tris(prop-2-enyl)triazinane

2,4,6-tris(prop-2-enyl)triazinane (PubChem CID 70503687) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,4,6-tris(prop-2-enyl)triazinane.

Molecular Properties

Compound Name2,4,6-tris(prop-2-enyl)triazinane
PubChem CID70503687
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2,4,6-tris(prop-2-enyl)triazinane
SMILESC=CCC1CC(CC=C)NN(CC=C)N1
InChIInChI=1S/C12H21N3/c1-4-7-11-10-12(8-5-2)14-15(13-11)9-6-3/h4-6,11-14H,1-3,7-10H2
InChIKeyWUPLLDJXVWZUKJ-UHFFFAOYSA-N
XLogP1.78
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,4,6-tris(prop-2-enyl)triazinane?
The IUPAC name of 2,4,6-tris(prop-2-enyl)triazinane (CID 70503687) is 2,4,6-tris(prop-2-enyl)triazinane.
What is the SMILES notation for 2,4,6-tris(prop-2-enyl)triazinane?
The canonical SMILES for 2,4,6-tris(prop-2-enyl)triazinane is C=CCC1CC(CC=C)NN(CC=C)N1.
What is the InChIKey of 2,4,6-tris(prop-2-enyl)triazinane?
The InChIKey is WUPLLDJXVWZUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-7-11-10-12(8-5-2)14-15(13-11)9-6-3/h4-6,11-14H,1-3,7-10H2.
What are the key properties of 2,4,6-tris(prop-2-enyl)triazinane?
2,4,6-tris(prop-2-enyl)triazinane has a molecular weight of 207.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(prop-2-enyl)triazinane is sourced from PubChem (CID 70503687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).