ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate

C15H21N5O2 — CID 46094525

IUPACethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(CC)nc3ncnn23)CC1
InChIInChI=1S/C15H21N5O2/c1-3-12-9-13(20-15(18-12)16-10-17-20)19-7-5-11(6-8-19)14(21)22-4-2/h9-11H,3-8H2,1-2H3
InChIKeyQOYKDYNWVXFZND-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.47
Rot. Bonds4

About ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate

ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate (PubChem CID 46094525) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
PubChem CID46094525
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Nameethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(CC)nc3ncnn23)CC1
InChIInChI=1S/C15H21N5O2/c1-3-12-9-13(20-15(18-12)16-10-17-20)19-7-5-11(6-8-19)14(21)22-4-2/h9-11H,3-8H2,1-2H3
InChIKeyQOYKDYNWVXFZND-UHFFFAOYSA-N
XLogP1.47
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate (CID 46094525) is ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(CC)nc3ncnn23)CC1.
What is the InChIKey of ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate?
The InChIKey is QOYKDYNWVXFZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-12-9-13(20-15(18-12)16-10-17-20)19-7-5-11(6-8-19)14(21)22-4-2/h9-11H,3-8H2,1-2H3.
What are the key properties of ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate?
ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate has a molecular weight of 303.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate is sourced from PubChem (CID 46094525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).