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

C23H24N4Si — CID 87434938

IUPAC5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane
SMILESC#Cc1ccc2n[nH]c(C)c2c1.Cc1[nH]nc2ccc(C#C[Si](C)(C)C)cc12
InChIInChI=1S/C13H16N2Si.C10H8N2/c1-10-12-9-11(7-8-16(2,3)4)5-6-13(12)15-14-10;1-3-8-4-5-10-9(6-8)7(2)11-12-10/h5-6,9H,1-4H3,(H,14,15);1,4-6H,2H3,(H,11,12)
InChIKeyVVTYYHZEWOBZSH-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.95
Rot. Bonds

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

5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane (PubChem CID 87434938) has the molecular formula C23H24N4Si and a molecular weight of 384.56 g/mol. Its IUPAC name is 5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane.

Molecular Properties

Compound Name5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane
PubChem CID87434938
Molecular FormulaC23H24N4Si
Molecular Weight384.56 g/mol
Exact Mass384.18
IUPAC Name5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane
SMILESC#Cc1ccc2n[nH]c(C)c2c1.Cc1[nH]nc2ccc(C#C[Si](C)(C)C)cc12
InChIInChI=1S/C13H16N2Si.C10H8N2/c1-10-12-9-11(7-8-16(2,3)4)5-6-13(12)15-14-10;1-3-8-4-5-10-9(6-8)7(2)11-12-10/h5-6,9H,1-4H3,(H,14,15);1,4-6H,2H3,(H,11,12)
InChIKeyVVTYYHZEWOBZSH-UHFFFAOYSA-N
XLogP4.95
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane?
The IUPAC name of 5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane (CID 87434938) is 5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane.
What is the SMILES notation for 5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane?
The canonical SMILES for 5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane is C#Cc1ccc2n[nH]c(C)c2c1.Cc1[nH]nc2ccc(C#C[Si](C)(C)C)cc12.
What is the InChIKey of 5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane?
The InChIKey is VVTYYHZEWOBZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2Si.C10H8N2/c1-10-12-9-11(7-8-16(2,3)4)5-6-13(12)15-14-10;1-3-8-4-5-10-9(6-8)7(2)11-12-10/h5-6,9H,1-4H3,(H,14,15);1,4-6H,2H3,(H,11,12).
What are the key properties of 5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane?
5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane has a molecular weight of 384.56 g/mol, XLogP of 4.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-3-methyl-2H-indazole;trimethyl-[2-(3-methyl-2H-indazol-5-yl)ethynyl]silane is sourced from PubChem (CID 87434938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).