2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane

C16H19ClFN3OSi — CID 58365194

IUPAC2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c2cnc(Cl)c(F)c2c2cccnc21
InChIInChI=1S/C16H19ClFN3OSi/c1-23(2,3)8-7-22-10-21-12-9-20-15(17)14(18)13(12)11-5-4-6-19-16(11)21/h4-6,9H,7-8,10H2,1-3H3
InChIKeyXPRJWQDDKBYMLJ-UHFFFAOYSA-N
MW351.89 g/mol
LogP4.69
Rot. Bonds5

About 2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane

2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane (PubChem CID 58365194) has the molecular formula C16H19ClFN3OSi and a molecular weight of 351.89 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane
PubChem CID58365194
Molecular FormulaC16H19ClFN3OSi
Molecular Weight351.89 g/mol
Exact Mass351.10
IUPAC Name2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c2cnc(Cl)c(F)c2c2cccnc21
InChIInChI=1S/C16H19ClFN3OSi/c1-23(2,3)8-7-22-10-21-12-9-20-15(17)14(18)13(12)11-5-4-6-19-16(11)21/h4-6,9H,7-8,10H2,1-3H3
InChIKeyXPRJWQDDKBYMLJ-UHFFFAOYSA-N
XLogP4.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.89
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-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-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane (CID 58365194) is 2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c2cnc(Cl)c(F)c2c2cccnc21.
What is the InChIKey of 2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is XPRJWQDDKBYMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3OSi/c1-23(2,3)8-7-22-10-21-12-9-20-15(17)14(18)13(12)11-5-4-6-19-16(11)21/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of 2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane?
2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 351.89 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58365194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).