2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide

C20H17N5O2 — CID 132576031

IUPAC2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(-c3ccccc3)nc3ncnn23)cc1
InChIInChI=1S/C20H17N5O2/c1-27-16-9-7-14(8-10-16)11-19(26)24-18-12-17(15-5-3-2-4-6-15)23-20-21-13-22-25(18)20/h2-10,12-13H,11H2,1H3,(H,24,26)
InChIKeyAFNIDGZNKZHLAJ-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.98
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide

2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide (PubChem CID 132576031) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide
PubChem CID132576031
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(-c3ccccc3)nc3ncnn23)cc1
InChIInChI=1S/C20H17N5O2/c1-27-16-9-7-14(8-10-16)11-19(26)24-18-12-17(15-5-3-2-4-6-15)23-20-21-13-22-25(18)20/h2-10,12-13H,11H2,1H3,(H,24,26)
InChIKeyAFNIDGZNKZHLAJ-UHFFFAOYSA-N
XLogP2.98
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide (CID 132576031) is 2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide is COc1ccc(CC(=O)Nc2cc(-c3ccccc3)nc3ncnn23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide?
The InChIKey is AFNIDGZNKZHLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-27-16-9-7-14(8-10-16)11-19(26)24-18-12-17(15-5-3-2-4-6-15)23-20-21-13-22-25(18)20/h2-10,12-13H,11H2,1H3,(H,24,26).
What are the key properties of 2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide?
2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide has a molecular weight of 359.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide is sourced from PubChem (CID 132576031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).