1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid

C10H14N4O4 — CID 63124159

IUPAC1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H14N4O4/c1-10(8(16)17)2-4-14(5-3-10)6-7(15)11-9(18)13-12-6/h2-5H2,1H3,(H,16,17)(H2,11,13,15,18)
InChIKeyDLTQTIAXZPBWSQ-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.85
Rot. Bonds2

About 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid

1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124159) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63124159
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H14N4O4/c1-10(8(16)17)2-4-14(5-3-10)6-7(15)11-9(18)13-12-6/h2-5H2,1H3,(H,16,17)(H2,11,13,15,18)
InChIKeyDLTQTIAXZPBWSQ-UHFFFAOYSA-N
XLogP-0.85
TPSA119.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate
CID 4366388
1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-4-carboxylic acid
CID 43410465
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylic acid
CID 43431809
4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-methylamino]butanoic acid
CID 43646809
3-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-4-yl]propanoic acid
CID 55049651
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-methylpiperidine-3-carboxylic acid
CID 55164152
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid
CID 55165311
methyl 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylate
CID 60675012
2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid
CID 62689919
1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid
CID 63124168
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63125991
1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63126003

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid (CID 63124159) is 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(c2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is DLTQTIAXZPBWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-10(8(16)17)2-4-14(5-3-10)6-7(15)11-9(18)13-12-6/h2-5H2,1H3,(H,16,17)(H2,11,13,15,18).
What are the key properties of 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid?
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of -0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).