ethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C12H16N6O3 — CID 4594296

IUPACethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(N3CCOCC3)nn2c1N
InChIInChI=1S/C12H16N6O3/c1-2-21-10(19)8-7-14-11-15-12(16-18(11)9(8)13)17-3-5-20-6-4-17/h7H,2-6,13H2,1H3
InChIKeyRJGZNIDLWPSKCX-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.28
Rot. Bonds3

About ethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 4594296) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is ethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID4594296
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Nameethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(N3CCOCC3)nn2c1N
InChIInChI=1S/C12H16N6O3/c1-2-21-10(19)8-7-14-11-15-12(16-18(11)9(8)13)17-3-5-20-6-4-17/h7H,2-6,13H2,1H3
InChIKeyRJGZNIDLWPSKCX-UHFFFAOYSA-N
XLogP-0.28
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

Ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 974047
Ethyl 7-amino-3-cyanopyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 721647
Ethyl 7-amino-2-methyl-(1,2,4)triazolo(1,5-a)pyrimidine-6-carboxylate
CID 1509622
Ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10965659
7-Amino-2-(4-morpholinyl)(1,2,4)triazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 5172373
Ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 721646
ethyl 5-amino-1-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1H-pyrazole-4-carboxylate
CID 2809000
3,6-Diethyl 7-aminopyrazolo(1,5-a)pyrimidine-3,6-dicarboxylate
CID 2816389
Ethyl 7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 1252117
Ethyl 7-Amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 2774832
US11390631, Example 438
CID 126482386
Ethyl 6-formylpyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 46779155

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 4594296) is ethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2nc(N3CCOCC3)nn2c1N.
What is the InChIKey of ethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is RJGZNIDLWPSKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-2-21-10(19)8-7-14-11-15-12(16-18(11)9(8)13)17-3-5-20-6-4-17/h7H,2-6,13H2,1H3.
What are the key properties of ethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 292.30 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 4594296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).