trimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane

C9H17N3Si — CID 151425376

IUPACtrimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane
SMILESCCC=C(n1cncn1)[Si](C)(C)C
InChIInChI=1S/C9H17N3Si/c1-5-6-9(13(2,3)4)12-8-10-7-11-12/h6-8H,5H2,1-4H3
InChIKeyPBKDINMBPCXXTK-UHFFFAOYSA-N
MW195.34 g/mol
LogP2.41
Rot. Bonds3

About trimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane

trimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane (PubChem CID 151425376) has the molecular formula C9H17N3Si and a molecular weight of 195.34 g/mol. Its IUPAC name is trimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane
PubChem CID151425376
Molecular FormulaC9H17N3Si
Molecular Weight195.34 g/mol
Exact Mass195.12
IUPAC Nametrimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane
SMILESCCC=C(n1cncn1)[Si](C)(C)C
InChIInChI=1S/C9H17N3Si/c1-5-6-9(13(2,3)4)12-8-10-7-11-12/h6-8H,5H2,1-4H3
InChIKeyPBKDINMBPCXXTK-UHFFFAOYSA-N
XLogP2.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butyl-dimethyl-(1,2,4-triazol-1-ylmethyl)silane
CID 13474607
Dibutyl-methyl-(1,2,4-triazol-1-ylmethyl)silane
CID 13474636
Trimethyl-[1-(1,2,4-triazol-1-yl)pent-1-en-3-yl]silane
CID 150547198
Tri(propan-2-yl)-(1,2,4-triazol-1-ylmethyl)silane
CID 45117658

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane?
The IUPAC name of trimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane (CID 151425376) is trimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane.
What is the SMILES notation for trimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane?
The canonical SMILES for trimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane is CCC=C(n1cncn1)[Si](C)(C)C.
What is the InChIKey of trimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane?
The InChIKey is PBKDINMBPCXXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3Si/c1-5-6-9(13(2,3)4)12-8-10-7-11-12/h6-8H,5H2,1-4H3.
What are the key properties of trimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane?
trimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane has a molecular weight of 195.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(1,2,4-triazol-1-yl)but-1-enyl]silane is sourced from PubChem (CID 151425376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).