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

C8H12N4O4 — CID 43646847

IUPAC2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H12N4O4/c1-10(4-5(13)14)6-7(15)11(2)8(16)12(3)9-6/h4H2,1-3H3,(H,13,14)
InChIKeyGYCWLXVUENNKNK-UHFFFAOYSA-N
MW228.21 g/mol
LogP-2.00
Rot. Bonds3

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

2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetic acid (PubChem CID 43646847) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetic acid
PubChem CID43646847
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H12N4O4/c1-10(4-5(13)14)6-7(15)11(2)8(16)12(3)9-6/h4H2,1-3H3,(H,13,14)
InChIKeyGYCWLXVUENNKNK-UHFFFAOYSA-N
XLogP-2.00
TPSA97.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-2.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetic acid (CID 43646847) is 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetic acid is CN(CC(=O)O)c1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetic acid?
The InChIKey is GYCWLXVUENNKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-10(4-5(13)14)6-7(15)11(2)8(16)12(3)9-6/h4H2,1-3H3,(H,13,14).
What are the key properties of 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetic acid?
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetic acid has a molecular weight of 228.21 g/mol, XLogP of -2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-methylamino]acetic acid is sourced from PubChem (CID 43646847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).