1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C15H21N3O4 — CID 20568133

IUPAC1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=C(C)Cn1c(=O)n(CC(=C)C)c(=O)n(CC2(C)CO2)c1=O
InChIInChI=1S/C15H21N3O4/c1-10(2)6-16-12(19)17(7-11(3)4)14(21)18(13(16)20)8-15(5)9-22-15/h1,3,6-9H2,2,4-5H3
InChIKeyHZTNPYMZNIXCLB-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.11
Rot. Bonds6

About 1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 20568133) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID20568133
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=C(C)Cn1c(=O)n(CC(=C)C)c(=O)n(CC2(C)CO2)c1=O
InChIInChI=1S/C15H21N3O4/c1-10(2)6-16-12(19)17(7-11(3)4)14(21)18(13(16)20)8-15(5)9-22-15/h1,3,6-9H2,2,4-5H3
InChIKeyHZTNPYMZNIXCLB-UHFFFAOYSA-N
XLogP0.11
TPSA78.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 20568133) is 1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=C(C)Cn1c(=O)n(CC(=C)C)c(=O)n(CC2(C)CO2)c1=O.
What is the InChIKey of 1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is HZTNPYMZNIXCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10(2)6-16-12(19)17(7-11(3)4)14(21)18(13(16)20)8-15(5)9-22-15/h1,3,6-9H2,2,4-5H3.
What are the key properties of 1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 307.35 g/mol, XLogP of 0.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(2-methylprop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 20568133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).