2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione

C11H18N4O3 — CID 55209691

IUPAC2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-14-10(16)9(13-15(2)11(14)17)12-7-8-3-5-18-6-4-8/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyCXYGVKUFNJEQSX-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.68
Rot. Bonds3

About 2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione (PubChem CID 55209691) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione
PubChem CID55209691
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-14-10(16)9(13-15(2)11(14)17)12-7-8-3-5-18-6-4-8/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyCXYGVKUFNJEQSX-UHFFFAOYSA-N
XLogP-0.68
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione (CID 55209691) is 2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione is Cn1nc(NCC2CCOCC2)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is CXYGVKUFNJEQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-14-10(16)9(13-15(2)11(14)17)12-7-8-3-5-18-6-4-8/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 254.29 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55209691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).