[2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C18H19N5O3 — CID 43065180

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCc1c(C(=O)OCC(=O)NCCc2ccccc2)cnc2ncnn12
InChIInChI=1S/C18H19N5O3/c1-2-15-14(10-20-18-21-12-22-23(15)18)17(25)26-11-16(24)19-9-8-13-6-4-3-5-7-13/h3-7,10,12H,2,8-9,11H2,1H3,(H,19,24)
InChIKeyJSPGDRSBRCASLY-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.20
Rot. Bonds7

About [2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 43065180) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID43065180
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCc1c(C(=O)OCC(=O)NCCc2ccccc2)cnc2ncnn12
InChIInChI=1S/C18H19N5O3/c1-2-15-14(10-20-18-21-12-22-23(15)18)17(25)26-11-16(24)19-9-8-13-6-4-3-5-7-13/h3-7,10,12H,2,8-9,11H2,1H3,(H,19,24)
InChIKeyJSPGDRSBRCASLY-UHFFFAOYSA-N
XLogP1.20
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 43065193
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 46403173
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 46403168
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 46403567
naphthalen-1-ylmethyl 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 46403707
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 43065195
7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 82722092
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 8818191
[3-(dimethylsulfamoyl)phenyl]methyl 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 43065231
[2-oxo-2-(2-phenylethylamino)ethyl] 2-methylsulfonylbenzoate
CID 18080788
7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 43428093
[2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate
CID 3483038

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 43065180) is [2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCc1c(C(=O)OCC(=O)NCCc2ccccc2)cnc2ncnn12.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is JSPGDRSBRCASLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-2-15-14(10-20-18-21-12-22-23(15)18)17(25)26-11-16(24)19-9-8-13-6-4-3-5-7-13/h3-7,10,12H,2,8-9,11H2,1H3,(H,19,24).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 43065180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).