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

C12H18N4O4 — CID 62690085

IUPAC2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid
SMILESCn1nc(N2CCCC(CC(=O)O)C2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N4O4/c1-14-11(19)10(13-15(2)12(14)20)16-5-3-4-8(7-16)6-9(17)18/h8H,3-7H2,1-2H3,(H,17,18)
InChIKeySTDDJDXBWJOTFZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.83
Rot. Bonds3

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

2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid (PubChem CID 62690085) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid
PubChem CID62690085
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid
SMILESCn1nc(N2CCCC(CC(=O)O)C2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N4O4/c1-14-11(19)10(13-15(2)12(14)20)16-5-3-4-8(7-16)6-9(17)18/h8H,3-7H2,1-2H3,(H,17,18)
InChIKeySTDDJDXBWJOTFZ-UHFFFAOYSA-N
XLogP-0.83
TPSA97.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylic acid
CID 43410465
1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-3-carboxylic acid
CID 43431816
1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-2-carboxylic acid
CID 43646849
Ethyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate
CID 52167422
3-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-4-yl]propanoic acid
CID 55049651
Methyl 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylate
CID 60658803
3-[1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-3-yl]propanoic acid
CID 61706524
3-[1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]propanoic acid
CID 62217322
3-[1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-2-yl]propanoic acid
CID 62218023
6-[3-(2-Hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62358302
2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid
CID 62689919
3-[(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]cyclohexane-1-carboxylic acid
CID 63042582

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid (CID 62690085) is 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid is Cn1nc(N2CCCC(CC(=O)O)C2)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-3-yl]acetic acid?
The InChIKey is STDDJDXBWJOTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-14-11(19)10(13-15(2)12(14)20)16-5-3-4-8(7-16)6-9(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-3-yl]acetic acid?
2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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-3-yl]acetic acid is sourced from PubChem (CID 62690085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).