2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide

C22H21N5O2 — CID 46269294

IUPAC2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(C)cc(=O)n3nc(-c4cccc(C)c4)nc23)c1
InChIInChI=1S/C22H21N5O2/c1-14-6-4-8-17(10-14)21-24-22-26(16(3)12-20(29)27(22)25-21)13-19(28)23-18-9-5-7-15(2)11-18/h4-12H,13H2,1-3H3,(H,23,28)
InChIKeyOLTCEEAGALVPAU-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.12
Rot. Bonds4

About 2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide

2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide (PubChem CID 46269294) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide
PubChem CID46269294
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(C)cc(=O)n3nc(-c4cccc(C)c4)nc23)c1
InChIInChI=1S/C22H21N5O2/c1-14-6-4-8-17(10-14)21-24-22-26(16(3)12-20(29)27(22)25-21)13-19(28)23-18-9-5-7-15(2)11-18/h4-12H,13H2,1-3H3,(H,23,28)
InChIKeyOLTCEEAGALVPAU-UHFFFAOYSA-N
XLogP3.12
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide (CID 46269294) is 2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2c(C)cc(=O)n3nc(-c4cccc(C)c4)nc23)c1.
What is the InChIKey of 2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is OLTCEEAGALVPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-6-4-8-17(10-14)21-24-22-26(16(3)12-20(29)27(22)25-21)13-19(28)23-18-9-5-7-15(2)11-18/h4-12H,13H2,1-3H3,(H,23,28).
What are the key properties of 2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide?
2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(3-methylphenyl)-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 46269294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).