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

C12H20N4O3 — CID 103768455

IUPAC2,4-dimethyl-6-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione
SMILESCC(Nc1nn(C)c(=O)n(C)c1=O)C1CCOCC1
InChIInChI=1S/C12H20N4O3/c1-8(9-4-6-19-7-5-9)13-10-11(17)15(2)12(18)16(3)14-10/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyGBEKBCRQYLODGD-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.29
Rot. Bonds3

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

2,4-dimethyl-6-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione (PubChem CID 103768455) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2,4-dimethyl-6-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione
PubChem CID103768455
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2,4-dimethyl-6-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione
SMILESCC(Nc1nn(C)c(=O)n(C)c1=O)C1CCOCC1
InChIInChI=1S/C12H20N4O3/c1-8(9-4-6-19-7-5-9)13-10-11(17)15(2)12(18)16(3)14-10/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyGBEKBCRQYLODGD-UHFFFAOYSA-N
XLogP-0.29
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-Dimethyl-6-(4-methylpentan-2-ylamino)-1,2,4-triazine-3,5-dione
CID 43646860
2,4-Dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione
CID 43646875
2,4-Dimethyl-6-(oxan-3-ylmethylamino)-1,2,4-triazine-3,5-dione
CID 54905753
2,4-Dimethyl-6-(oxan-3-ylamino)-1,2,4-triazine-3,5-dione
CID 55188594
2,4-Dimethyl-6-(oxan-4-ylmethylamino)-1,2,4-triazine-3,5-dione
CID 55209691
6-(4-Methoxybutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60964349
2,4-Dimethyl-6-[2-(4-methylpiperidin-1-yl)ethylamino]-1,2,4-triazine-3,5-dione
CID 60964765
2,4-Dimethyl-6-(3-methylpentan-2-ylamino)-1,2,4-triazine-3,5-dione
CID 61397677
6-[[1-(Dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61480157
6-[(1-Ethylpiperidin-4-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61609925
2,4-Dimethyl-6-[(1-methylpiperidin-4-yl)methylamino]-1,2,4-triazine-3,5-dione
CID 61790692
2,4-Dimethyl-6-(piperidin-4-ylmethylamino)-1,2,4-triazine-3,5-dione
CID 61794424

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione (CID 103768455) is 2,4-dimethyl-6-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione is CC(Nc1nn(C)c(=O)n(C)c1=O)C1CCOCC1.
What is the InChIKey of 2,4-dimethyl-6-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione?
The InChIKey is GBEKBCRQYLODGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(9-4-6-19-7-5-9)13-10-11(17)15(2)12(18)16(3)14-10/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2,4-dimethyl-6-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione has a molecular weight of 268.32 g/mol, XLogP of -0.29, 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-[1-(oxan-4-yl)ethylamino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103768455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).