1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione

C12H21N3O3 — CID 146631123

IUPAC1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(C(C)(C)C)c(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C12H21N3O3/c1-11(2,3)14-8(16)13(7)9(17)15(10(14)18)12(4,5)6/h1-7H3
InChIKeySRWRALNVAHZSGE-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.22
Rot. Bonds

About 1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione

1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 146631123) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID146631123
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(C(C)(C)C)c(=O)n(C(C)(C)C)c1=O
InChIInChI=1S/C12H21N3O3/c1-11(2,3)14-8(16)13(7)9(17)15(10(14)18)12(4,5)6/h1-7H3
InChIKeySRWRALNVAHZSGE-UHFFFAOYSA-N
XLogP0.22
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 146631123) is 1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione is Cn1c(=O)n(C(C)(C)C)c(=O)n(C(C)(C)C)c1=O.
What is the InChIKey of 1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is SRWRALNVAHZSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-11(2,3)14-8(16)13(7)9(17)15(10(14)18)12(4,5)6/h1-7H3.
What are the key properties of 1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione?
1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 255.32 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 146631123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).