6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H20N4O4 — CID 114779447

IUPAC6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CC(CO)OC(C)(C)C2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O4/c1-12(2)7-16(5-8(6-17)20-12)9-10(18)14(3)11(19)15(4)13-9/h8,17H,5-7H2,1-4H3
InChIKeyHQLKUCJSPDWIAK-UHFFFAOYSA-N
MW284.32 g/mol
LogP-1.54
Rot. Bonds2

About 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 114779447) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID114779447
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CC(CO)OC(C)(C)C2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O4/c1-12(2)7-16(5-8(6-17)20-12)9-10(18)14(3)11(19)15(4)13-9/h8,17H,5-7H2,1-4H3
InChIKeyHQLKUCJSPDWIAK-UHFFFAOYSA-N
XLogP-1.54
TPSA89.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 114779447) is 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N2CC(CO)OC(C)(C)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is HQLKUCJSPDWIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-12(2)7-16(5-8(6-17)20-12)9-10(18)14(3)11(19)15(4)13-9/h8,17H,5-7H2,1-4H3.
What are the key properties of 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 284.32 g/mol, XLogP of -1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 114779447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).