N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine

C18H28F3N5O2Si — CID 175927146

IUPACN-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine
SMILESCOCCNc1cc(-c2nnc(C(F)(F)F)n2COCC[Si](C)(C)C)cnc1C
InChIInChI=1S/C18H28F3N5O2Si/c1-13-15(22-6-7-27-2)10-14(11-23-13)16-24-25-17(18(19,20)21)26(16)12-28-8-9-29(3,4)5/h10-11,22H,6-9,12H2,1-5H3
InChIKeyZHKBMUPLMAVYEM-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.04
Rot. Bonds10

About N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine

N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine (PubChem CID 175927146) has the molecular formula C18H28F3N5O2Si and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine
PubChem CID175927146
Molecular FormulaC18H28F3N5O2Si
Molecular Weight431.54 g/mol
Exact Mass431.20
IUPAC NameN-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine
SMILESCOCCNc1cc(-c2nnc(C(F)(F)F)n2COCC[Si](C)(C)C)cnc1C
InChIInChI=1S/C18H28F3N5O2Si/c1-13-15(22-6-7-27-2)10-14(11-23-13)16-24-25-17(18(19,20)21)26(16)12-28-8-9-29(3,4)5/h10-11,22H,6-9,12H2,1-5H3
InChIKeyZHKBMUPLMAVYEM-UHFFFAOYSA-N
XLogP4.04
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine 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

2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 46895437
methyl 3-[2-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]prop-2-enoate
CID 54327180
3-[5-[3-(trifluoromethoxy)phenyl]-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]aniline
CID 68631092
2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 125498321
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
5-[5-ethyl-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-nitro-N-(oxetan-2-ylmethyl)pyridin-2-amine
CID 174155773
2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane
CID 67362055
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123200798
2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162760836
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine (CID 175927146) is N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine is COCCNc1cc(-c2nnc(C(F)(F)F)n2COCC[Si](C)(C)C)cnc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine?
The InChIKey is ZHKBMUPLMAVYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3N5O2Si/c1-13-15(22-6-7-27-2)10-14(11-23-13)16-24-25-17(18(19,20)21)26(16)12-28-8-9-29(3,4)5/h10-11,22H,6-9,12H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine?
N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine has a molecular weight of 431.54 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine is sourced from PubChem (CID 175927146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).