1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione

C15H29N3O3 — CID 164822473

IUPAC1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione
SMILESCC(C)(C)N1C(=O)N(C(C)(C)C)C(O)N(C(C)(C)C)C1=O
InChIInChI=1S/C15H29N3O3/c1-13(2,3)16-10(19)17(14(4,5)6)12(21)18(11(16)20)15(7,8)9/h10,19H,1-9H3
InChIKeyPOFRETSLKFIBBT-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.82
Rot. Bonds

About 1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione

1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione (PubChem CID 164822473) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione
PubChem CID164822473
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione
SMILESCC(C)(C)N1C(=O)N(C(C)(C)C)C(O)N(C(C)(C)C)C1=O
InChIInChI=1S/C15H29N3O3/c1-13(2,3)16-10(19)17(14(4,5)6)12(21)18(11(16)20)15(7,8)9/h10,19H,1-9H3
InChIKeyPOFRETSLKFIBBT-UHFFFAOYSA-N
XLogP2.82
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione 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

1,3,5-Triazine-1,3-dicarboxaldehyde, hexahydro-5-tert-butyl-
CID 550706
1-Tert-butyl-3-(hydroxymethyl)-1,3-diazinan-2-one
CID 14177970
1-Tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione
CID 70667200
1-Tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione
CID 91552240
1-Tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 118583294
6-Hydroxy-1,3,5-tripropyl-1,3,5-triazinane-2,4-dione
CID 129194595
6-Hydroxy-1,3-di(propan-2-yl)-5-sulfanyl-1,3,5-triazinane-2,4-dione
CID 139423450
1,3-Ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 146631123
1-Tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 149302621
(1-Tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium
CID 163936005
6-Hydroxy-1,3-dimethyl-5-propyl-1,3,5-triazinane-2,4-dione
CID 167199538
6-Hydroxy-1,3,5-tri(propan-2-yl)-1,3,5-triazinane-2,4-dione
CID 169660974

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione (CID 164822473) is 1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione is CC(C)(C)N1C(=O)N(C(C)(C)C)C(O)N(C(C)(C)C)C1=O.
What is the InChIKey of 1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione?
The InChIKey is POFRETSLKFIBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-13(2,3)16-10(19)17(14(4,5)6)12(21)18(11(16)20)15(7,8)9/h10,19H,1-9H3.
What are the key properties of 1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione?
1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione has a molecular weight of 299.42 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 164822473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).