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

C18H18F3N5O2 — CID 86843694

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C18H18F3N5O2/c1-4-28-14-6-5-12(18(19,20)21)8-13(14)23-16(27)9-15-24-17-22-10(2)7-11(3)26(17)25-15/h5-8H,4,9H2,1-3H3,(H,23,27)
InChIKeyFHWYHOYSDFVUFH-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.34
Rot. Bonds5

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

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 86843694) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID86843694
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C18H18F3N5O2/c1-4-28-14-6-5-12(18(19,20)21)8-13(14)23-16(27)9-15-24-17-22-10(2)7-11(3)26(17)25-15/h5-8H,4,9H2,1-3H3,(H,23,27)
InChIKeyFHWYHOYSDFVUFH-UHFFFAOYSA-N
XLogP3.34
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.34
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-ethoxy-5-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-ethoxyphenyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 87006733
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47073756
N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17462345
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25414352
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 78884499
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26177639
5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 41369796
N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 47898138
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
2-(4-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 8800716
N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 38766637

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-ethoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide (CID 86843694) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide is CCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1nc2nc(C)cc(C)n2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FHWYHOYSDFVUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-4-28-14-6-5-12(18(19,20)21)8-13(14)23-16(27)9-15-24-17-22-10(2)7-11(3)26(17)25-15/h5-8H,4,9H2,1-3H3,(H,23,27).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 393.37 g/mol, XLogP of 3.34, 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-ethoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 86843694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).