ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate

C10H16N4O4 — CID 62005956

IUPACethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O4/c1-5-18-7(15)6-12(2)8-9(16)13(3)10(17)14(4)11-8/h5-6H2,1-4H3
InChIKeyVVXUYDVWFZTXHW-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.52
Rot. Bonds4

About ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate

ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate (PubChem CID 62005956) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate
PubChem CID62005956
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Nameethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O4/c1-5-18-7(15)6-12(2)8-9(16)13(3)10(17)14(4)11-8/h5-6H2,1-4H3
InChIKeyVVXUYDVWFZTXHW-UHFFFAOYSA-N
XLogP-1.52
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate (CID 62005956) is ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate is CCOC(=O)CN(C)c1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate?
The InChIKey is VVXUYDVWFZTXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-5-18-7(15)6-12(2)8-9(16)13(3)10(17)14(4)11-8/h5-6H2,1-4H3.
What are the key properties of ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate?
ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate has a molecular weight of 256.26 g/mol, XLogP of -1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate is sourced from PubChem (CID 62005956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).