trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane

C13H16N2Si — CID 67062722

IUPACtrimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane
SMILESCc1[nH]nc2ccc(C#C[Si](C)(C)C)cc12
InChIInChI=1S/C13H16N2Si/c1-10-12-9-11(7-8-16(2,3)4)5-6-13(12)15-14-10/h5-6,9H,1-4H3,(H,14,15)
InChIKeyWWIKBFQBOGKELE-UHFFFAOYSA-N
MW228.37 g/mol
LogP3.10
Rot. Bonds

About trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane

trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane (PubChem CID 67062722) has the molecular formula C13H16N2Si and a molecular weight of 228.37 g/mol. Its IUPAC name is trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane
PubChem CID67062722
Molecular FormulaC13H16N2Si
Molecular Weight228.37 g/mol
Exact Mass228.11
IUPAC Nametrimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane
SMILESCc1[nH]nc2ccc(C#C[Si](C)(C)C)cc12
InChIInChI=1S/C13H16N2Si/c1-10-12-9-11(7-8-16(2,3)4)5-6-13(12)15-14-10/h5-6,9H,1-4H3,(H,14,15)
InChIKeyWWIKBFQBOGKELE-UHFFFAOYSA-N
XLogP3.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane (CID 67062722) is trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane is Cc1[nH]nc2ccc(C#C[Si](C)(C)C)cc12.
What is the InChIKey of trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane?
The InChIKey is WWIKBFQBOGKELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2Si/c1-10-12-9-11(7-8-16(2,3)4)5-6-13(12)15-14-10/h5-6,9H,1-4H3,(H,14,15).
What are the key properties of trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane?
trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane has a molecular weight of 228.37 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane is sourced from PubChem (CID 67062722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).