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

C15H31N3O — CID 24974965

IUPAC1,3,5-tritert-butyl-1,3,5-triazinan-2-one
SMILESCC(C)(C)N1CN(C(C)(C)C)C(=O)N(C(C)(C)C)C1
InChIInChI=1S/C15H31N3O/c1-13(2,3)16-10-17(14(4,5)6)12(19)18(11-16)15(7,8)9/h10-11H2,1-9H3
InChIKeyHMRFCHNIUNEVGH-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.34
Rot. Bonds

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

1,3,5-tritert-butyl-1,3,5-triazinan-2-one (PubChem CID 24974965) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1,3,5-tritert-butyl-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name1,3,5-tritert-butyl-1,3,5-triazinan-2-one
PubChem CID24974965
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1,3,5-tritert-butyl-1,3,5-triazinan-2-one
SMILESCC(C)(C)N1CN(C(C)(C)C)C(=O)N(C(C)(C)C)C1
InChIInChI=1S/C15H31N3O/c1-13(2,3)16-10-17(14(4,5)6)12(19)18(11-16)15(7,8)9/h10-11H2,1-9H3
InChIKeyHMRFCHNIUNEVGH-UHFFFAOYSA-N
XLogP3.34
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-Tri(propan-2-yl)-1,3,5-triazinane-2,4-dione
CID 21574862
1,3,5-Tri(propan-2-yl)-1,3,5-triazinane-2,4,6-trione
CID 13059222
1,3-Dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one
CID 15395303
3,5-Ditert-butyl-1,3,5-triazinane-1-carbaldehyde
CID 14638327
1,3,5-Triazine-1,3-dicarboxaldehyde, hexahydro-5-tert-butyl-
CID 550706
1,3,5,6,6-Pentamethyl-1,3,5-triazinane-2,4-dione
CID 12226920
5-tert-Butyl-1,3-dimethyl-1,3,5-triazinan-2-one
CID 12397332
2,4-Dioxo-hexahydro-1,5-diisopropyl-3-methyl-s-triazine
CID 12397334
1-Tert-butyl-3-methyl-1,3-diazinan-2-one
CID 14177971
1-Tert-butyl-1,3,3-trimethylurea
CID 19962454
1-Tert-butyl-3-methyl-1,3,5-triazinane-2,4,6-trione
CID 21400289
1,3-Ditert-butyl-1,3-diazinan-2-one
CID 22972483

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tritert-butyl-1,3,5-triazinan-2-one?
The IUPAC name of 1,3,5-tritert-butyl-1,3,5-triazinan-2-one (CID 24974965) is 1,3,5-tritert-butyl-1,3,5-triazinan-2-one.
What is the SMILES notation for 1,3,5-tritert-butyl-1,3,5-triazinan-2-one?
The canonical SMILES for 1,3,5-tritert-butyl-1,3,5-triazinan-2-one is CC(C)(C)N1CN(C(C)(C)C)C(=O)N(C(C)(C)C)C1.
What is the InChIKey of 1,3,5-tritert-butyl-1,3,5-triazinan-2-one?
The InChIKey is HMRFCHNIUNEVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(2,3)16-10-17(14(4,5)6)12(19)18(11-16)15(7,8)9/h10-11H2,1-9H3.
What are the key properties of 1,3,5-tritert-butyl-1,3,5-triazinan-2-one?
1,3,5-tritert-butyl-1,3,5-triazinan-2-one has a molecular weight of 269.43 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tritert-butyl-1,3,5-triazinan-2-one is sourced from PubChem (CID 24974965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).