6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C11H20N4O3 — CID 64571272

IUPAC6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC(N)(CC)COc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O3/c1-5-11(12,6-2)7-18-8-9(16)14(3)10(17)15(4)13-8/h5-7,12H2,1-4H3
InChIKeyITEXKOHGWTUOCV-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.62
Rot. Bonds5

About 6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 64571272) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID64571272
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC(N)(CC)COc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O3/c1-5-11(12,6-2)7-18-8-9(16)14(3)10(17)15(4)13-8/h5-7,12H2,1-4H3
InChIKeyITEXKOHGWTUOCV-UHFFFAOYSA-N
XLogP-0.62
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethyl-6-[2-(propan-2-ylamino)ethoxy]-1,2,4-triazine-3,5-dione
CID 62348985
6-[4-(aminomethyl)phenoxy]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 106485601
2,4-dimethyl-6-(piperidin-3-ylmethoxy)-1,2,4-triazine-3,5-dione
CID 62348744
ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 170980144
2,4-dimethyl-5-propoxy-1,2,4-triazol-3-one
CID 22973872
6-(3-aminocyclohexyl)oxy-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 79465006
6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 15268101
ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate
CID 62005956
3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine
CID 64574048
3-(2-amino-2-methylpropoxy)-1-methylpyrazin-2-one
CID 64538205
3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)oxymethyl]pentan-3-amine
CID 104508436
6-(2-aminobutylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63731201

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 64571272) is 6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCC(N)(CC)COc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is ITEXKOHGWTUOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-5-11(12,6-2)7-18-8-9(16)14(3)10(17)15(4)13-8/h5-7,12H2,1-4H3.
What are the key properties of 6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 256.31 g/mol, XLogP of -0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-2-ethylbutoxy)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 64571272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).