1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione

C9H15N3O3 — CID 118583294

IUPAC1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(C)c(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C9H15N3O3/c1-9(2,3)12-7(14)10(4)6(13)11(5)8(12)15/h1-5H3
InChIKeyLEDCWKNWVCJICK-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.00
Rot. Bonds

About 1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione

1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 118583294) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
PubChem CID118583294
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(C)c(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C9H15N3O3/c1-9(2,3)12-7(14)10(4)6(13)11(5)8(12)15/h1-5H3
InChIKeyLEDCWKNWVCJICK-UHFFFAOYSA-N
XLogP-1.00
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-3,5-dimethyl-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-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione (CID 118583294) is 1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione is Cn1c(=O)n(C)c(=O)n(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is LEDCWKNWVCJICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-9(2,3)12-7(14)10(4)6(13)11(5)8(12)15/h1-5H3.
What are the key properties of 1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione?
1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 213.24 g/mol, XLogP of -1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 118583294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).