Methylsilyl-1,2,3-triazole

C3H5N3Si — CID 67056275

About Methylsilyl-1,2,3-triazole

Methylsilyl-1,2,3-triazole (PubChem CID 67056275) has the molecular formula C3H5N3Si and a molecular weight of 111.18 g/mol.

Molecular Properties

• Compound Name: Methylsilyl-1,2,3-triazole
• PubChem CID: 67056275
• Molecular Formula: C3H5N3Si
• Molecular Weight: 111.18 g/mol
• Exact Mass: 111.03
• IUPAC Name: —
• SMILES: C[Si]c1cn[nH]n1
• InChI: InChI=1S/C3H5N3Si/c1-7-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)
• InChIKey: CZQWNBMJGCNCNC-UHFFFAOYSA-N
• XLogP: -0.82
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	111.18
LogP ≤ 5	-0.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Methylsilyl-1,2,3-triazole?

The IUPAC name of Methylsilyl-1,2,3-triazole (CID 67056275) is not available.

What is the SMILES notation for Methylsilyl-1,2,3-triazole?

The canonical SMILES for Methylsilyl-1,2,3-triazole is C[Si]c1cn[nH]n1.

What is the InChIKey of Methylsilyl-1,2,3-triazole?

The InChIKey is CZQWNBMJGCNCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3Si/c1-7-3-2-4-6-5-3/h2H,1H3,(H,4,5,6).

What are the key properties of Methylsilyl-1,2,3-triazole?

Methylsilyl-1,2,3-triazole has a molecular weight of 111.18 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Methylsilyl-1,2,3-triazole is sourced from PubChem (CID 67056275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).