1,5-ditert-butyl-1,3,5-triazinan-2-one

C11H23N3O — CID 15121486

IUPAC1,5-ditert-butyl-1,3,5-triazinan-2-one
SMILESCC(C)(C)N1CNC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C11H23N3O/c1-10(2,3)13-7-12-9(15)14(8-13)11(4,5)6/h7-8H2,1-6H3,(H,12,15)
InChIKeyCCJFPHRQWLMCEG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.83
Rot. Bonds

About 1,5-ditert-butyl-1,3,5-triazinan-2-one

1,5-ditert-butyl-1,3,5-triazinan-2-one (PubChem CID 15121486) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,5-ditert-butyl-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name1,5-ditert-butyl-1,3,5-triazinan-2-one
PubChem CID15121486
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1,5-ditert-butyl-1,3,5-triazinan-2-one
SMILESCC(C)(C)N1CNC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C11H23N3O/c1-10(2,3)13-7-12-9(15)14(8-13)11(4,5)6/h7-8H2,1-6H3,(H,12,15)
InChIKeyCCJFPHRQWLMCEG-UHFFFAOYSA-N
XLogP1.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1-Dimethylethyl)-1-piperazinecarboxamide
CID 11321368
5-Tert-butyl-1,3,5-triazinan-2-one
CID 10975754
5-tert-Butyl-1,3-dimethyl-1,3,5-triazinan-2-one
CID 12397332
1-Tert.-butyl-3-ethyl-1,3,5-triazine-2,4,6-trione
CID 15056723
1-Tert-butyl-1-ethyl-3-methylurea
CID 19354673
1-Tert-butyl-1,3-dimethylurea
CID 19354674
1,3-Di(propan-2-yl)-1,3,5-triazinane-2,4-dione
CID 20190644
1,1-Ditert-butyl-3-methylurea
CID 20791007
1-Tert-butyl-3-methyl-1,3,5-triazinane-2,4,6-trione
CID 21400289
3-(2-Aminopropan-2-yl)-6-(dimethylamino)-1,3,5-triazinane-2,4-dione
CID 21400335
1-Tert-butyl-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione
CID 21400353
5-Ethyl-1-propan-2-yl-1,3,5-triazinan-2-one
CID 21612525

Frequently Asked Questions

What is the IUPAC name of 1,5-ditert-butyl-1,3,5-triazinan-2-one?
The IUPAC name of 1,5-ditert-butyl-1,3,5-triazinan-2-one (CID 15121486) is 1,5-ditert-butyl-1,3,5-triazinan-2-one.
What is the SMILES notation for 1,5-ditert-butyl-1,3,5-triazinan-2-one?
The canonical SMILES for 1,5-ditert-butyl-1,3,5-triazinan-2-one is CC(C)(C)N1CNC(=O)N(C(C)(C)C)C1.
What is the InChIKey of 1,5-ditert-butyl-1,3,5-triazinan-2-one?
The InChIKey is CCJFPHRQWLMCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(2,3)13-7-12-9(15)14(8-13)11(4,5)6/h7-8H2,1-6H3,(H,12,15).
What are the key properties of 1,5-ditert-butyl-1,3,5-triazinan-2-one?
1,5-ditert-butyl-1,3,5-triazinan-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butyl-1,3,5-triazinan-2-one is sourced from PubChem (CID 15121486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).