(1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium

C8H16N3O3+ — CID 163936005

IUPAC(1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium
SMILESCN1C(=O)NC([OH2+])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)/p+1
InChIKeyRMWBVRKMHNSKEG-UHFFFAOYSA-O
MW202.23 g/mol
LogP-0.13
Rot. Bonds

About (1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium

(1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium (PubChem CID 163936005) has the molecular formula C8H16N3O3+ and a molecular weight of 202.23 g/mol. Its IUPAC name is (1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium.

Molecular Properties

Compound Name(1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium
PubChem CID163936005
Molecular FormulaC8H16N3O3+
Molecular Weight202.23 g/mol
Exact Mass202.12
IUPAC Name(1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium
SMILESCN1C(=O)NC([OH2+])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)/p+1
InChIKeyRMWBVRKMHNSKEG-UHFFFAOYSA-O
XLogP-0.13
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze (1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium with MolForge

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Launch Full Analysis

Related Compounds

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
1,3,5-Tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione
CID 164822473
1,5-Ditert-butyl-1,3,5-triazinan-2-one
CID 15121486
1-Tert-butyl-6-hydroxy-3-methyl-1,3,5-triazinane-2,4-dione
CID 163936006

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium?
The IUPAC name of (1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium (CID 163936005) is (1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium.
What is the SMILES notation for (1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium?
The canonical SMILES for (1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium is CN1C(=O)NC([OH2+])N(C(C)(C)C)C1=O.
What is the InChIKey of (1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium?
The InChIKey is RMWBVRKMHNSKEG-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of (1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium?
(1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium has a molecular weight of 202.23 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-methyl-4,6-dioxo-1,3,5-triazinan-2-yl)oxidanium is sourced from PubChem (CID 163936005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).