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

C8H12N4O4 — CID 43431817

IUPACmethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate
SMILESCOC(=O)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H12N4O4/c1-11-7(14)6(9-4-5(13)16-3)10-12(2)8(11)15/h4H2,1-3H3,(H,9,10)
InChIKeySPUIIFOCVUEVRA-UHFFFAOYSA-N
MW228.21 g/mol
LogP-1.94
Rot. Bonds3

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

methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate (PubChem CID 43431817) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate
PubChem CID43431817
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Namemethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate
SMILESCOC(=O)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H12N4O4/c1-11-7(14)6(9-4-5(13)16-3)10-12(2)8(11)15/h4H2,1-3H3,(H,9,10)
InChIKeySPUIIFOCVUEVRA-UHFFFAOYSA-N
XLogP-1.94
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-1.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate?
The IUPAC name of methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate (CID 43431817) is methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate is COC(=O)CNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate?
The InChIKey is SPUIIFOCVUEVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-11-7(14)6(9-4-5(13)16-3)10-12(2)8(11)15/h4H2,1-3H3,(H,9,10).
What are the key properties of methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate?
methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate has a molecular weight of 228.21 g/mol, XLogP of -1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetate is sourced from PubChem (CID 43431817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).