[1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

C18H19N5O4 — CID 24980626

IUPAC[1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOc1ccccc1NC(=O)C(C)OC(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C18H19N5O4/c1-10-9-11(2)23-18(19-10)21-15(22-23)17(25)27-12(3)16(24)20-13-7-5-6-8-14(13)26-4/h5-9,12H,1-4H3,(H,20,24)
InChIKeyUXAYXGMCTPLEMJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.93
Rot. Bonds5

About [1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

[1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 24980626) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is [1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name[1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID24980626
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name[1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOc1ccccc1NC(=O)C(C)OC(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C18H19N5O4/c1-10-9-11(2)23-18(19-10)21-15(22-23)17(25)27-12(3)16(24)20-13-7-5-6-8-14(13)26-4/h5-9,12H,1-4H3,(H,20,24)
InChIKeyUXAYXGMCTPLEMJ-UHFFFAOYSA-N
XLogP1.93
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 24980626) is [1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is COc1ccccc1NC(=O)C(C)OC(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is UXAYXGMCTPLEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-10-9-11(2)23-18(19-10)21-15(22-23)17(25)27-12(3)16(24)20-13-7-5-6-8-14(13)26-4/h5-9,12H,1-4H3,(H,20,24).
What are the key properties of [1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyanilino)-1-oxopropan-2-yl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 24980626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).