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

C8H15N3O3 — CID 163936006

IUPAC1-tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione
SMILESCN1C(=O)NC(O)N(C(C)(C)C)C1=O
InChIInChI=1S/C8H15N3O3/c1-8(2,3)11-6(13)9-5(12)10(4)7(11)14/h6,13H,1-4H3,(H,9,12)
InChIKeyRMWBVRKMHNSKEG-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.14
Rot. Bonds

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

1-tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione (PubChem CID 163936006) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1-tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione
PubChem CID163936006
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name1-tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione
SMILESCN1C(=O)NC(O)N(C(C)(C)C)C1=O
InChIInChI=1S/C8H15N3O3/c1-8(2,3)11-6(13)9-5(12)10(4)7(11)14/h6,13H,1-4H3,(H,9,12)
InChIKeyRMWBVRKMHNSKEG-UHFFFAOYSA-N
XLogP0.14
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-Butyl-6-hydroxy-1,3,5-triazinane-2,4-dione
CID 23112529
1-Tert.-butyl-3-ethyl-1,3,5-triazine-2,4,6-trione
CID 15056723
1,5-Ditert-butyl-6-hydroperoxy-4-hydroxy-1,3,5-triazinan-2-one
CID 21292573
1-Tert-butyl-3-methyl-1,3,5-triazinane-2,4,6-trione
CID 21400289
1-Ethyl-6-hydroxy-1,3,5-triazinane-2,4-dione
CID 54518891
3-Tert-butyl-1,3,5-triazinane-2,4-dione
CID 89957245
3-Tert-butyl-4-hydroxy-1,3,5-oxadiazinane-2,6-dione
CID 139372861
(1-Tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium
CID 163936005
1,3,5-Tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione
CID 164822473

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1-tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione (CID 163936006) is 1-tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1-tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1-tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione is CN1C(=O)NC(O)N(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione?
The InChIKey is RMWBVRKMHNSKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-8(2,3)11-6(13)9-5(12)10(4)7(11)14/h6,13H,1-4H3,(H,9,12).
What are the key properties of 1-tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione?
1-tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione has a molecular weight of 201.23 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 163936006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).