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

C9H14N4O4 — CID 60659925

IUPACmethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H14N4O4/c1-11(5-6(14)17-4)7-8(15)12(2)9(16)13(3)10-7/h5H2,1-4H3
InChIKeyPMYGWRFTNHCOQF-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.91
Rot. Bonds3

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

methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate (PubChem CID 60659925) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate
PubChem CID60659925
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Namemethyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H14N4O4/c1-11(5-6(14)17-4)7-8(15)12(2)9(16)13(3)10-7/h5H2,1-4H3
InChIKeyPMYGWRFTNHCOQF-UHFFFAOYSA-N
XLogP-1.91
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.91
H-Bond Donors ≤ 50
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)-methylamino]acetate?
The IUPAC name of methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate (CID 60659925) is methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate is COC(=O)CN(C)c1nn(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)-methylamino]acetate?
The InChIKey is PMYGWRFTNHCOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-11(5-6(14)17-4)7-8(15)12(2)9(16)13(3)10-7/h5H2,1-4H3.
What are the key properties of methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate?
methyl 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetate has a molecular weight of 242.23 g/mol, XLogP of -1.91, 3 rotatable bonds, 0 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)-methylamino]acetate is sourced from PubChem (CID 60659925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).