butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane

C9H19N3Si — CID 13474607

IUPACbutyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane
SMILESCCCC[Si](C)(C)Cn1cncn1
InChIInChI=1S/C9H19N3Si/c1-4-5-6-13(2,3)9-12-8-10-7-11-12/h7-8H,4-6,9H2,1-3H3
InChIKeyMYRXKXZWKCMTMI-UHFFFAOYSA-N
MW197.36 g/mol
LogP2.33
Rot. Bonds5

About butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane

butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane (PubChem CID 13474607) has the molecular formula C9H19N3Si and a molecular weight of 197.36 g/mol. Its IUPAC name is butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane.

Molecular Properties

Compound Namebutyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane
PubChem CID13474607
Molecular FormulaC9H19N3Si
Molecular Weight197.36 g/mol
Exact Mass197.13
IUPAC Namebutyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane
SMILESCCCC[Si](C)(C)Cn1cncn1
InChIInChI=1S/C9H19N3Si/c1-4-5-6-13(2,3)9-12-8-10-7-11-12/h7-8H,4-6,9H2,1-3H3
InChIKeyMYRXKXZWKCMTMI-UHFFFAOYSA-N
XLogP2.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.36
LogP ≤ 52.33
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 butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane?
The IUPAC name of butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane (CID 13474607) is butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane.
What is the SMILES notation for butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane?
The canonical SMILES for butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane is CCCC[Si](C)(C)Cn1cncn1.
What is the InChIKey of butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane?
The InChIKey is MYRXKXZWKCMTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3Si/c1-4-5-6-13(2,3)9-12-8-10-7-11-12/h7-8H,4-6,9H2,1-3H3.
What are the key properties of butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane?
butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane has a molecular weight of 197.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane is sourced from PubChem (CID 13474607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).