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

C12H18N4O4 — CID 63126370

IUPAC1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H18N4O4/c1-2-3-12(10(18)19)4-6-16(7-5-12)8-9(17)13-11(20)15-14-8/h2-7H2,1H3,(H,18,19)(H2,13,15,17,20)
InChIKeyMJNURXXAEGPUQS-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.07
Rot. Bonds4

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

1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63126370) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63126370
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H18N4O4/c1-2-3-12(10(18)19)4-6-16(7-5-12)8-9(17)13-11(20)15-14-8/h2-7H2,1H3,(H,18,19)(H2,13,15,17,20)
InChIKeyMJNURXXAEGPUQS-UHFFFAOYSA-N
XLogP-0.07
TPSA119.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylic acid
CID 43431809
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)amino]methyl]cyclohexyl]acetic acid
CID 61660051
3-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]propanoic acid
CID 61706522
2-[1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid
CID 62689919
2-[1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-3-yl]acetic acid
CID 62690085
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-methylpiperidine-4-carboxylic acid
CID 63124159
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-propylpiperidine-4-carboxylic acid (CID 63126370) is 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-propylpiperidine-4-carboxylic acid is CCCC1(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-propylpiperidine-4-carboxylic acid?
The InChIKey is MJNURXXAEGPUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-2-3-12(10(18)19)4-6-16(7-5-12)8-9(17)13-11(20)15-14-8/h2-7H2,1H3,(H,18,19)(H2,13,15,17,20).
What are the key properties of 1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-propylpiperidine-4-carboxylic acid?
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.07, 4 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-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).