[6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane

C14H14ClFN4Si — CID 172561393

IUPAC[6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cc2nnc(-c3ccc(F)cc3)n2nc1Cl
InChIInChI=1S/C14H14ClFN4Si/c1-21(2,3)11-8-12-17-18-14(20(12)19-13(11)15)9-4-6-10(16)7-5-9/h4-8H,1-3H3
InChIKeyRQAPIFMYMOWSHE-UHFFFAOYSA-N
MW320.83 g/mol
LogP3.13
Rot. Bonds2

About [6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane

[6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane (PubChem CID 172561393) has the molecular formula C14H14ClFN4Si and a molecular weight of 320.83 g/mol. Its IUPAC name is [6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane.

Molecular Properties

Compound Name[6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane
PubChem CID172561393
Molecular FormulaC14H14ClFN4Si
Molecular Weight320.83 g/mol
Exact Mass320.07
IUPAC Name[6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cc2nnc(-c3ccc(F)cc3)n2nc1Cl
InChIInChI=1S/C14H14ClFN4Si/c1-21(2,3)11-8-12-17-18-14(20(12)19-13(11)15)9-4-6-10(16)7-5-9/h4-8H,1-3H3
InChIKeyRQAPIFMYMOWSHE-UHFFFAOYSA-N
XLogP3.13
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.83
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane?
The IUPAC name of [6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane (CID 172561393) is [6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane.
What is the SMILES notation for [6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane?
The canonical SMILES for [6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane is C[Si](C)(C)c1cc2nnc(-c3ccc(F)cc3)n2nc1Cl.
What is the InChIKey of [6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane?
The InChIKey is RQAPIFMYMOWSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4Si/c1-21(2,3)11-8-12-17-18-14(20(12)19-13(11)15)9-4-6-10(16)7-5-9/h4-8H,1-3H3.
What are the key properties of [6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane?
[6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane has a molecular weight of 320.83 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-trimethylsilane is sourced from PubChem (CID 172561393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).