N-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide

C20H19N5O3 — CID 3879261

IUPACN-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(C2CC(=O)Nc3ncnn32)c1)NCc1ccccc1
InChIInChI=1S/C20H19N5O3/c26-18-10-17(25-20(24-18)22-13-23-25)15-7-4-8-16(9-15)28-12-19(27)21-11-14-5-2-1-3-6-14/h1-9,13,17H,10-12H2,(H,21,27)(H,22,23,24,26)
InChIKeyKMUCWNMRPBRHRC-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.90
Rot. Bonds6

About N-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide

N-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide (PubChem CID 3879261) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide
PubChem CID3879261
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(C2CC(=O)Nc3ncnn32)c1)NCc1ccccc1
InChIInChI=1S/C20H19N5O3/c26-18-10-17(25-20(24-18)22-13-23-25)15-7-4-8-16(9-15)28-12-19(27)21-11-14-5-2-1-3-6-14/h1-9,13,17H,10-12H2,(H,21,27)(H,22,23,24,26)
InChIKeyKMUCWNMRPBRHRC-UHFFFAOYSA-N
XLogP1.90
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[3-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide
CID 137168138
4-[[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]methyl]benzonitrile
CID 3452481
N-(2-methylphenyl)-2-[4-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide
CID 3344844
(7S)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137129416
(7S)-7-[4-(2-phenoxyethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137094232
2-[4-[(7S)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 137168171
N-(5-chloro-2-methylphenyl)-2-[4-[(7S)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide
CID 137168230
N-(4-bromo-3-methylphenyl)-2-[4-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide
CID 137129698
N-(3-chlorophenyl)-2-[2-ethoxy-4-[(7S)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide
CID 137129562
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
N-(4-chlorophenyl)-2-[2-methoxy-4-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide
CID 137129437
2-[2-ethoxy-4-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 137093786

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide?
The IUPAC name of N-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide (CID 3879261) is N-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide?
The canonical SMILES for N-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide is O=C(COc1cccc(C2CC(=O)Nc3ncnn32)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide?
The InChIKey is KMUCWNMRPBRHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-18-10-17(25-20(24-18)22-13-23-25)15-7-4-8-16(9-15)28-12-19(27)21-11-14-5-2-1-3-6-14/h1-9,13,17H,10-12H2,(H,21,27)(H,22,23,24,26).
What are the key properties of N-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide?
N-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide has a molecular weight of 377.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenoxy]acetamide is sourced from PubChem (CID 3879261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).