ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate

C14H23N5O2 — CID 105363029

IUPACethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1c1nnc(CC)c(CC)n1
InChIInChI=1S/C14H23N5O2/c1-4-10-11(5-2)17-18-14(16-10)19-8-7-15-9-12(19)13(20)21-6-3/h12,15H,4-9H2,1-3H3
InChIKeyODGXUQDYCLEESB-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.34
Rot. Bonds5

About ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate

ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate (PubChem CID 105363029) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate
PubChem CID105363029
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Nameethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1c1nnc(CC)c(CC)n1
InChIInChI=1S/C14H23N5O2/c1-4-10-11(5-2)17-18-14(16-10)19-8-7-15-9-12(19)13(20)21-6-3/h12,15H,4-9H2,1-3H3
InChIKeyODGXUQDYCLEESB-UHFFFAOYSA-N
XLogP0.34
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate
CID 114985351
ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate
CID 105363274
ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate
CID 113432137
5,6-diethyl-3-(2-ethylpiperazin-1-yl)-1,2,4-triazine
CID 105363338
ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate
CID 116650861
1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazine-2-carboxamide
CID 114787140
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide
CID 114787143
ethyl 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazine-2-carboxylate
CID 107305379
ethyl 1-(5-nitro-1,3-thiazol-2-yl)piperazine-2-carboxylate
CID 102771380
ethyl 1-piperidin-4-ylpiperazine-2-carboxylate
CID 141178631
ethyl 1-(4-iodo-2-nitrophenyl)piperazine-2-carboxylate
CID 66082699
1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115973483

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate?
The IUPAC name of ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate (CID 105363029) is ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate?
The canonical SMILES for ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate is CCOC(=O)C1CNCCN1c1nnc(CC)c(CC)n1.
What is the InChIKey of ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate?
The InChIKey is ODGXUQDYCLEESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-10-11(5-2)17-18-14(16-10)19-8-7-15-9-12(19)13(20)21-6-3/h12,15H,4-9H2,1-3H3.
What are the key properties of ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate?
ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate is sourced from PubChem (CID 105363029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).