N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

C15H17N5O3 — CID 135994279

IUPACN-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCCOc1ccc(NC(=O)CC2Cn3ncnc3NC2=O)cc1
InChIInChI=1S/C15H17N5O3/c1-2-23-12-5-3-11(4-6-12)18-13(21)7-10-8-20-15(16-9-17-20)19-14(10)22/h3-6,9-10H,2,7-8H2,1H3,(H,18,21)(H,16,17,19,22)
InChIKeyYMZMZHQFLUYNFJ-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.27
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 135994279) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID135994279
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCCOc1ccc(NC(=O)CC2Cn3ncnc3NC2=O)cc1
InChIInChI=1S/C15H17N5O3/c1-2-23-12-5-3-11(4-6-12)18-13(21)7-10-8-20-15(16-9-17-20)19-14(10)22/h3-6,9-10H,2,7-8H2,1H3,(H,18,21)(H,16,17,19,22)
InChIKeyYMZMZHQFLUYNFJ-UHFFFAOYSA-N
XLogP1.27
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875244
N-(4-methyl-3-nitrophenyl)-2-[(6S)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875235
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(6S)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875205
N-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875194
N-(2-ethoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875253
N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635979
N-(4-ethylphenyl)-2-[(6R)-2-(methoxymethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136857083
N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 135994155
N-(4-ethoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220298
N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875248
2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 135904215
2-[(4S)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 30465662

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 135994279) is N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is CCOc1ccc(NC(=O)CC2Cn3ncnc3NC2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is YMZMZHQFLUYNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-2-23-12-5-3-11(4-6-12)18-13(21)7-10-8-20-15(16-9-17-20)19-14(10)22/h3-6,9-10H,2,7-8H2,1H3,(H,18,21)(H,16,17,19,22).
What are the key properties of N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 315.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 135994279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).