2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide

C22H27N5O3 — CID 50750710

IUPAC2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(C)cc(=O)n3nc(C4CCCCC4)nc23)cc1
InChIInChI=1S/C22H27N5O3/c1-3-30-18-11-9-17(10-12-18)23-19(28)14-26-15(2)13-20(29)27-22(26)24-21(25-27)16-7-5-4-6-8-16/h9-13,16H,3-8,14H2,1-2H3,(H,23,28)
InChIKeyRFZYZOLOALQVIS-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.28
Rot. Bonds6

About 2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide

2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 50750710) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide
PubChem CID50750710
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(C)cc(=O)n3nc(C4CCCCC4)nc23)cc1
InChIInChI=1S/C22H27N5O3/c1-3-30-18-11-9-17(10-12-18)23-19(28)14-26-15(2)13-20(29)27-22(26)24-21(25-27)16-7-5-4-6-8-16/h9-13,16H,3-8,14H2,1-2H3,(H,23,28)
InChIKeyRFZYZOLOALQVIS-UHFFFAOYSA-N
XLogP3.28
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-2-[5-methyl-2-(2-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 50750600
2-[2-[4-(cyanomethoxy)phenyl]-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
CID 178132369
2-[5-methyl-2-[4-(oxan-2-yl)phenyl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
CID 178132242
2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53155334
2-[2-[4-(difluoromethoxy)phenyl]-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
CID 178132317
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212
2-[2-[4-[[4-(hydroxymethyl)cyclohexyl]methyl]phenyl]-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
CID 178132279
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 108794896
2-[2-[4-(4,5-dihydroxyoxan-2-yl)phenyl]-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
CID 178132314
N-(4-ethoxyphenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)acetamide
CID 110223079
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 71841294
2-[5-methyl-2-[4-(oxetan-3-ylmethyl)phenyl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
CID 178132213

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide (CID 50750710) is 2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cn2c(C)cc(=O)n3nc(C4CCCCC4)nc23)cc1.
What is the InChIKey of 2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is RFZYZOLOALQVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-3-30-18-11-9-17(10-12-18)23-19(28)14-26-15(2)13-20(29)27-22(26)24-21(25-27)16-7-5-4-6-8-16/h9-13,16H,3-8,14H2,1-2H3,(H,23,28).
What are the key properties of 2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide?
2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 50750710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).