2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide

C22H21N5O2 — CID 78884499

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide
SMILESCc1cccc(Oc2ccccc2NC(=O)Cc2nc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C22H21N5O2/c1-14-7-6-8-17(11-14)29-19-10-5-4-9-18(19)24-21(28)13-20-25-22-23-15(2)12-16(3)27(22)26-20/h4-12H,13H2,1-3H3,(H,24,28)
InChIKeyQOFYAQDJCIHJBC-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.02
Rot. Bonds5

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide (PubChem CID 78884499) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide
PubChem CID78884499
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide
SMILESCc1cccc(Oc2ccccc2NC(=O)Cc2nc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C22H21N5O2/c1-14-7-6-8-17(11-14)29-19-10-5-4-9-18(19)24-21(28)13-20-25-22-23-15(2)12-16(3)27(22)26-20/h4-12H,13H2,1-3H3,(H,24,28)
InChIKeyQOFYAQDJCIHJBC-UHFFFAOYSA-N
XLogP4.02
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide with MolForge

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Related Compounds

[2-oxo-2-(2-phenoxyanilino)ethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2462455
5,7-dimethyl-N-(2-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2549973
N-[4-(2-chlorophenoxy)phenyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 38808612
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenoxy)phenyl]acetamide
CID 52725356
N-[2-(2-chlorophenoxy)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 37348111
4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120558964
4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 112824865
N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 87006733
1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea
CID 112838266
5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 41369796
N-[(S)-cyclohexyl(phenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 51956546

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide (CID 78884499) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide is Cc1cccc(Oc2ccccc2NC(=O)Cc2nc3nc(C)cc(C)n3n2)c1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide?
The InChIKey is QOFYAQDJCIHJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-7-6-8-17(11-14)29-19-10-5-4-9-18(19)24-21(28)13-20-25-22-23-15(2)12-16(3)27(22)26-20/h4-12H,13H2,1-3H3,(H,24,28).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 78884499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).