methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate

C15H21N5O2 — CID 97059143

IUPACmethyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate
SMILESCCc1cc(N2CCCC[C@@H]2CC(=O)OC)n2ncnc2n1
InChIInChI=1S/C15H21N5O2/c1-3-11-8-13(20-15(18-11)16-10-17-20)19-7-5-4-6-12(19)9-14(21)22-2/h8,10,12H,3-7,9H2,1-2H3/t12-/m1/s1
InChIKeySFERDLPYJUYFQE-GFCCVEGCSA-N
MW303.37 g/mol
LogP1.61
Rot. Bonds4

About methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate

methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate (PubChem CID 97059143) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate
PubChem CID97059143
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Namemethyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate
SMILESCCc1cc(N2CCCC[C@@H]2CC(=O)OC)n2ncnc2n1
InChIInChI=1S/C15H21N5O2/c1-3-11-8-13(20-15(18-11)16-10-17-20)19-7-5-4-6-12(19)9-14(21)22-2/h8,10,12H,3-7,9H2,1-2H3/t12-/m1/s1
InChIKeySFERDLPYJUYFQE-GFCCVEGCSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate with MolForge

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Related Compounds

[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 95296940
2-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
CID 78845347
7-[(2R)-2-[(2R)-butan-2-yl]piperidin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 98856258
ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 46094525
methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate
CID 66318081
1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49431473
methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate
CID 62771827
7-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 47299227
tert-butyl N-[[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]methyl]carbamate
CID 133397095
methyl 2-[1-(3-methylpyrazin-2-yl)piperidin-2-yl]acetate
CID 83063502
5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133377071
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-2-carbaldehyde
CID 62663961

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate (CID 97059143) is methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate is CCc1cc(N2CCCC[C@@H]2CC(=O)OC)n2ncnc2n1.
What is the InChIKey of methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate?
The InChIKey is SFERDLPYJUYFQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-11-8-13(20-15(18-11)16-10-17-20)19-7-5-4-6-12(19)9-14(21)22-2/h8,10,12H,3-7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate?
methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate has a molecular weight of 303.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate is sourced from PubChem (CID 97059143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).