dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane

C12H25N3Si — CID 13474636

IUPACdibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane
SMILESCCCC[Si](C)(CCCC)Cn1cncn1
InChIInChI=1S/C12H25N3Si/c1-4-6-8-16(3,9-7-5-2)12-15-11-13-10-14-15/h10-11H,4-9,12H2,1-3H3
InChIKeyNPUNYIAUFYDUMB-UHFFFAOYSA-N
MW239.44 g/mol
LogP3.50
Rot. Bonds8

About dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane

dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane (PubChem CID 13474636) has the molecular formula C12H25N3Si and a molecular weight of 239.44 g/mol. Its IUPAC name is dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane.

Molecular Properties

Compound Namedibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane
PubChem CID13474636
Molecular FormulaC12H25N3Si
Molecular Weight239.44 g/mol
Exact Mass239.18
IUPAC Namedibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane
SMILESCCCC[Si](C)(CCCC)Cn1cncn1
InChIInChI=1S/C12H25N3Si/c1-4-6-8-16(3,9-7-5-2)12-15-11-13-10-14-15/h10-11H,4-9,12H2,1-3H3
InChIKeyNPUNYIAUFYDUMB-UHFFFAOYSA-N
XLogP3.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane?
The IUPAC name of dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane (CID 13474636) is dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane.
What is the SMILES notation for dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane?
The canonical SMILES for dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane is CCCC[Si](C)(CCCC)Cn1cncn1.
What is the InChIKey of dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane?
The InChIKey is NPUNYIAUFYDUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3Si/c1-4-6-8-16(3,9-7-5-2)12-15-11-13-10-14-15/h10-11H,4-9,12H2,1-3H3.
What are the key properties of dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane?
dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane has a molecular weight of 239.44 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane is sourced from PubChem (CID 13474636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).