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

C18H17N5O5 — CID 2508579

IUPAC[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COC(=O)c2nc3nccc(C)n3n2)c1
InChIInChI=1S/C18H17N5O5/c1-10-4-5-12(16(25)27-3)8-13(10)20-14(24)9-28-17(26)15-21-18-19-7-6-11(2)23(18)22-15/h4-8H,9H2,1-3H3,(H,20,24)
InChIKeyGIWZEZZTQPMGPO-UHFFFAOYSA-N
MW383.36 g/mol
LogP1.32
Rot. Bonds5

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

[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 2508579) has the molecular formula C18H17N5O5 and a molecular weight of 383.36 g/mol. Its IUPAC name is [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID2508579
Molecular FormulaC18H17N5O5
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COC(=O)c2nc3nccc(C)n3n2)c1
InChIInChI=1S/C18H17N5O5/c1-10-4-5-12(16(25)27-3)8-13(10)20-14(24)9-28-17(26)15-21-18-19-7-6-11(2)23(18)22-15/h4-8H,9H2,1-3H3,(H,20,24)
InChIKeyGIWZEZZTQPMGPO-UHFFFAOYSA-N
XLogP1.32
TPSA124.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 8661896
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 55379142
N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47143299
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 806985
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate
CID 33057679
cyanomethyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 29169569
(5-acetyl-2-methoxyphenyl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 8661814
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 71684974
methyl 3-[[2-(5-fluoro-2-methylbenzoyl)oxyacetyl]amino]-4-methylbenzoate
CID 17392365
methyl 3-[[2-[2-(3,4-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]-4-methylbenzoate
CID 7352550
[(2S)-1-methoxy-1-oxopropan-2-yl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 40815135
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7416041

Frequently Asked Questions

What is the IUPAC name of [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 2508579) is [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2nc3nccc(C)n3n2)c1.
What is the InChIKey of [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is GIWZEZZTQPMGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O5/c1-10-4-5-12(16(25)27-3)8-13(10)20-14(24)9-28-17(26)15-21-18-19-7-6-11(2)23(18)22-15/h4-8H,9H2,1-3H3,(H,20,24).
What are the key properties of [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 383.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 2508579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).