ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate

C11H16N4O3 — CID 9124455

IUPACethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cn[nH]c(=O)n2)CC1
InChIInChI=1S/C11H16N4O3/c1-2-18-10(16)8-3-5-15(6-4-8)9-7-12-14-11(17)13-9/h7-8H,2-6H2,1H3,(H,13,14,17)
InChIKeyPKUADNWOACSFMW-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.06
Rot. Bonds3

About ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate

ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate (PubChem CID 9124455) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
PubChem CID9124455
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Nameethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cn[nH]c(=O)n2)CC1
InChIInChI=1S/C11H16N4O3/c1-2-18-10(16)8-3-5-15(6-4-8)9-7-12-14-11(17)13-9/h7-8H,2-6H2,1H3,(H,13,14,17)
InChIKeyPKUADNWOACSFMW-UHFFFAOYSA-N
XLogP-0.06
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 42226847
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974910
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
CID 115650147
ethyl 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylate
CID 115372977
ethyl 1-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 95115378
ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate
CID 57457177

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate (CID 9124455) is ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cn[nH]c(=O)n2)CC1.
What is the InChIKey of ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate?
The InChIKey is PKUADNWOACSFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-18-10(16)8-3-5-15(6-4-8)9-7-12-14-11(17)13-9/h7-8H,2-6H2,1H3,(H,13,14,17).
What are the key properties of ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate?
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate has a molecular weight of 252.27 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate is sourced from PubChem (CID 9124455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).