ethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

C19H28N6O3 — CID 46097487

IUPACethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
SMILESCCOC(=O)Cc1c(C)nc2ncnn2c1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C19H28N6O3/c1-3-28-17(26)12-16-14(2)22-19-20-13-21-25(19)18(16)24-6-4-15(5-7-24)23-8-10-27-11-9-23/h13,15H,3-12H2,1-2H3
InChIKeyCHBFNJFOULTOJC-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.84
Rot. Bonds5

About ethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

ethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate (PubChem CID 46097487) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is ethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
PubChem CID46097487
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Nameethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
SMILESCCOC(=O)Cc1c(C)nc2ncnn2c1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C19H28N6O3/c1-3-28-17(26)12-16-14(2)22-19-20-13-21-25(19)18(16)24-6-4-15(5-7-24)23-8-10-27-11-9-23/h13,15H,3-12H2,1-2H3
InChIKeyCHBFNJFOULTOJC-UHFFFAOYSA-N
XLogP0.84
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 2-[7-(azonan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 46096736
ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 46096747
ethyl 2-[7-[4-(4-acetylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 46094491
1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid
CID 175654822
ethyl 2-[7-[4-(2-chloro-6-methylpyridine-4-carbonyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 46098269
ethyl 3-[7-(4-butanoylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 46098226
ethyl 4-[4-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4-oxobutanoate
CID 46098232
ethyl 3-[7-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 46098751
ethyl 3-[7-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 46098408
ethyl 3-[7-[4-[2-[di(propan-2-yl)amino]ethyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 46097471
ethyl 3-[7-[4-[(2-chlorophenyl)methylcarbamoyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 42691644
1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 3227325

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate?
The IUPAC name of ethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate (CID 46097487) is ethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate.
What is the SMILES notation for ethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate?
The canonical SMILES for ethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate is CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCC(N2CCOCC2)CC1.
What is the InChIKey of ethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate?
The InChIKey is CHBFNJFOULTOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-3-28-17(26)12-16-14(2)22-19-20-13-21-25(19)18(16)24-6-4-15(5-7-24)23-8-10-27-11-9-23/h13,15H,3-12H2,1-2H3.
What are the key properties of ethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate?
ethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate has a molecular weight of 388.47 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-methyl-7-(4-morpholin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate is sourced from PubChem (CID 46097487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).