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

C17H17N5O3 — CID 43065193

IUPAC[2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCc1c(C(=O)OCC(=O)Nc2ccc(C)cc2)cnc2ncnn12
InChIInChI=1S/C17H17N5O3/c1-3-14-13(8-18-17-19-10-20-22(14)17)16(24)25-9-15(23)21-12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,21,23)
InChIKeyJXZLXJSRRWHQLY-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.79
Rot. Bonds5

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

[2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 43065193) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID43065193
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCc1c(C(=O)OCC(=O)Nc2ccc(C)cc2)cnc2ncnn12
InChIInChI=1S/C17H17N5O3/c1-3-14-13(8-18-17-19-10-20-22(14)17)16(24)25-9-15(23)21-12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,21,23)
InChIKeyJXZLXJSRRWHQLY-UHFFFAOYSA-N
XLogP1.79
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 46403173
[2-(4-methylanilino)-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 55737549
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 46403567
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 43065131
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 43065153
[2-(3,5-dimethylanilino)-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 55737608
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 55737577
7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 82722092
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 43065217
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
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 46403168

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 43065193) is [2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCc1c(C(=O)OCC(=O)Nc2ccc(C)cc2)cnc2ncnn12.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is JXZLXJSRRWHQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-3-14-13(8-18-17-19-10-20-22(14)17)16(24)25-9-15(23)21-12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,21,23).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
[2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 339.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 43065193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).