2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane

C15H18F6N4OSi — CID 89401935

IUPAC2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H18F6N4OSi/c1-27(2,3)5-4-26-9-25-8-22-13(24-25)10-6-11(14(16,17)18)23-12(7-10)15(19,20)21/h6-8H,4-5,9H2,1-3H3
InChIKeyATSMWDMETNUKST-UHFFFAOYSA-N
MW412.41 g/mol
LogP4.69
Rot. Bonds6

About 2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 89401935) has the molecular formula C15H18F6N4OSi and a molecular weight of 412.41 g/mol. Its IUPAC name is 2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID89401935
Molecular FormulaC15H18F6N4OSi
Molecular Weight412.41 g/mol
Exact Mass412.12
IUPAC Name2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H18F6N4OSi/c1-27(2,3)5-4-26-9-25-8-22-13(24-25)10-6-11(14(16,17)18)23-12(7-10)15(19,20)21/h6-8H,4-5,9H2,1-3H3
InChIKeyATSMWDMETNUKST-UHFFFAOYSA-N
XLogP4.69
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane (CID 89401935) is 2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ATSMWDMETNUKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F6N4OSi/c1-27(2,3)5-4-26-9-25-8-22-13(24-25)10-6-11(14(16,17)18)23-12(7-10)15(19,20)21/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 412.41 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 89401935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).