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

C14H19N5O2 — CID 103201110

IUPACethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3nc(C)ccn3n2)CC1
InChIInChI=1S/C14H19N5O2/c1-3-21-12(20)11-5-7-18(8-6-11)14-16-13-15-10(2)4-9-19(13)17-14/h4,9,11H,3,5-8H2,1-2H3
InChIKeyHGLCYSDHBSQVRI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.21
Rot. Bonds3

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

ethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 103201110) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID103201110
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Nameethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3nc(C)ccn3n2)CC1
InChIInChI=1S/C14H19N5O2/c1-3-21-12(20)11-5-7-18(8-6-11)14-16-13-15-10(2)4-9-19(13)17-14/h4,9,11H,3,5-8H2,1-2H3
InChIKeyHGLCYSDHBSQVRI-UHFFFAOYSA-N
XLogP1.21
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate
CID 30756005
ethyl 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylate
CID 115372977
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
CID 133365954
ethyl 1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidine-4-carboxylate
CID 68775709
ethyl 1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 66503068
ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 23608410
ethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxylate
CID 104733371
ethyl 1-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 66502845
ethyl 1-[4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-yl]piperidine-4-carboxylate
CID 66502990
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate
CID 62131854

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate (CID 103201110) is ethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc3nc(C)ccn3n2)CC1.
What is the InChIKey of ethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is HGLCYSDHBSQVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-21-12(20)11-5-7-18(8-6-11)14-16-13-15-10(2)4-9-19(13)17-14/h4,9,11H,3,5-8H2,1-2H3.
What are the key properties of ethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate?
ethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 103201110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).