3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline

C15H19F3N4O — CID 72844206

IUPAC3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline
SMILESCOCCc1nc(-c2cccc(N(C)C)c2)n(CC(F)(F)F)n1
InChIInChI=1S/C15H19F3N4O/c1-21(2)12-6-4-5-11(9-12)14-19-13(7-8-23-3)20-22(14)10-15(16,17)18/h4-6,9H,7-8,10H2,1-3H3
InChIKeyRPUJVASILMUHRZ-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.76
Rot. Bonds6

About 3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline

3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline (PubChem CID 72844206) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline
PubChem CID72844206
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline
SMILESCOCCc1nc(-c2cccc(N(C)C)c2)n(CC(F)(F)F)n1
InChIInChI=1S/C15H19F3N4O/c1-21(2)12-6-4-5-11(9-12)14-19-13(7-8-23-3)20-22(14)10-15(16,17)18/h4-6,9H,7-8,10H2,1-3H3
InChIKeyRPUJVASILMUHRZ-UHFFFAOYSA-N
XLogP2.76
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline 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

1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 646624
2-[2-Methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol
CID 135372036
2-[2-Methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol
CID 142468169
1-[1-[1-(2-Methoxyethyl)tetrazol-5-yl]propyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 645707
4-{3-[4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]propyl}morpholine
CID 56700466
3-{4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}propan-1-ol
CID 56711503
N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]acetamide
CID 71934501
2-{5-[4-(dimethylamino)benzyl]-3-methyl-1H-1,2,4-triazol-1-yl}ethanol
CID 74235260
1-[1-[1-(2-Methoxyethyl)tetrazol-5-yl]butyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 43812257
2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol
CID 6905986
1-[1-[1-(2-Methoxyethyl)tetrazol-5-yl]pentyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3209232
2,2,2-trifluoroethyl N-(3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}phenyl)carbamate
CID 47002274

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline (CID 72844206) is 3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline is COCCc1nc(-c2cccc(N(C)C)c2)n(CC(F)(F)F)n1.
What is the InChIKey of 3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline?
The InChIKey is RPUJVASILMUHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-21(2)12-6-4-5-11(9-12)14-19-13(7-8-23-3)20-22(14)10-15(16,17)18/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of 3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline?
3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline has a molecular weight of 328.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 72844206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).