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

C15H24N4O2 — CID 105363274

IUPACethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1nnc(CC)c(CC)n1
InChIInChI=1S/C15H24N4O2/c1-4-11-12(5-2)17-18-15(16-11)19-10-8-7-9-13(19)14(20)21-6-3/h13H,4-10H2,1-3H3
InChIKeyYDLMTITVQWQUGH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.92
Rot. Bonds5

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

ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate (PubChem CID 105363274) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate
PubChem CID105363274
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nameethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1nnc(CC)c(CC)n1
InChIInChI=1S/C15H24N4O2/c1-4-11-12(5-2)17-18-15(16-11)19-10-8-7-9-13(19)14(20)21-6-3/h13H,4-10H2,1-3H3
InChIKeyYDLMTITVQWQUGH-UHFFFAOYSA-N
XLogP1.92
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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)piperazine-2-carboxylate
CID 105363029
ethyl 1-(4-carbamothioyl-6-methylpyrimidin-2-yl)piperidine-2-carboxylate
CID 107546692
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate
CID 80647768
ethyl 1-(4-aminophenyl)piperidine-2-carboxylate
CID 21070762
ethyl 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylate
CID 65274919
ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate
CID 62858505
ethyl 1-(4-carbamothioylphenyl)piperidine-2-carboxylate
CID 43648340
ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate
CID 113331456
ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate
CID 113331444
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-4-carboxylate
CID 68891069

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate (CID 105363274) is ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1c1nnc(CC)c(CC)n1.
What is the InChIKey of ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate?
The InChIKey is YDLMTITVQWQUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-11-12(5-2)17-18-15(16-11)19-10-8-7-9-13(19)14(20)21-6-3/h13H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate?
ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate is sourced from PubChem (CID 105363274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).