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

C12H18N4O5 — CID 63905253

IUPAC2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid
SMILESCn1nc(N2CCC(OCC(=O)O)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N4O5/c1-14-11(19)10(13-15(2)12(14)20)16-5-3-8(4-6-16)21-7-9(17)18/h8H,3-7H2,1-2H3,(H,17,18)
InChIKeyINDWYODSXODUQT-UHFFFAOYSA-N
MW298.30 g/mol
LogP-1.45
Rot. Bonds4

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

2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid (PubChem CID 63905253) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid
PubChem CID63905253
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC Name2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid
SMILESCn1nc(N2CCC(OCC(=O)O)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N4O5/c1-14-11(19)10(13-15(2)12(14)20)16-5-3-8(4-6-16)21-7-9(17)18/h8H,3-7H2,1-2H3,(H,17,18)
InChIKeyINDWYODSXODUQT-UHFFFAOYSA-N
XLogP-1.45
TPSA106.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid (CID 63905253) is 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid is Cn1nc(N2CCC(OCC(=O)O)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid?
The InChIKey is INDWYODSXODUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5/c1-14-11(19)10(13-15(2)12(14)20)16-5-3-8(4-6-16)21-7-9(17)18/h8H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid?
2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid has a molecular weight of 298.30 g/mol, XLogP of -1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63905253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).