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

C10H17N3O3 — CID 149302621

IUPAC1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(C)c(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C10H17N3O3/c1-6-12-7(14)11(5)8(15)13(9(12)16)10(2,3)4/h6H2,1-5H3
InChIKeyXXBFROAUSGPRDX-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.52
Rot. Bonds1

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

1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 149302621) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID149302621
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(C)c(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C10H17N3O3/c1-6-12-7(14)11(5)8(15)13(9(12)16)10(2,3)4/h6H2,1-5H3
InChIKeyXXBFROAUSGPRDX-UHFFFAOYSA-N
XLogP-0.52
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-3-ethyl-5-methyl-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

Related Compounds

1-tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione
CID 91552240
1-tert-butyl-3-methyl-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 155110911
1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 166726321
1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane
CID 159762511
6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione
CID 816934
1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one
CID 91000822
1,3-dihexyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 140791594
1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 167961025
1-ethyl-3,5-diheptyl-1,3,5-triazinane-2,4,6-trione;methane
CID 160918747
1-(2-amino-2-methylpropyl)-7-ethyl-3,8-dimethylpurine-2,6-dione
CID 82466472
1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
CID 143274636
1-tert-butyl-3-methyl-2,6-dioxopyrimidine-4-carbonitrile
CID 177129758

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 149302621) is 1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione is CCn1c(=O)n(C)c(=O)n(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is XXBFROAUSGPRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6-12-7(14)11(5)8(15)13(9(12)16)10(2,3)4/h6H2,1-5H3.
What are the key properties of 1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 227.26 g/mol, XLogP of -0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 149302621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).