silyltriazole

C2H2N3Si — CID 22051848

IUPAC—
SMILES[Si]c1cn[nH]n1
InChIInChI=1S/C2H2N3Si/c6-2-1-3-5-4-2/h1H,(H,3,4,5)
InChIKeyCELAFSYSAMBHIO-UHFFFAOYSA-N
MW96.14 g/mol
LogP-1.40
Rot. Bonds

About silyltriazole

silyltriazole (PubChem CID 22051848) has the molecular formula C2H2N3Si and a molecular weight of 96.14 g/mol.

Molecular Properties

Compound Namesilyltriazole
PubChem CID22051848
Molecular FormulaC2H2N3Si
Molecular Weight96.14 g/mol
Exact Mass96.00
IUPAC Name—
SMILES[Si]c1cn[nH]n1
InChIInChI=1S/C2H2N3Si/c6-2-1-3-5-4-2/h1H,(H,3,4,5)
InChIKeyCELAFSYSAMBHIO-UHFFFAOYSA-N
XLogP-1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.14
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-1,2,3-Triazole
CID 67516
1H-1,2,3-Triazol-1-amine
CID 3825723
1H-1,2,3-triazol-1-amine hydrochloride
CID 121552667
Triazole hydrate
CID 19755304
Triazole hydrochloride
CID 22133982
2H-1,2,3-Triazol-2-amine
CID 22600751
5-(Trimethylsilyl)-1H-1,2,3-triazole
CID 53420987
Triazolyl phosphine
CID 53967180
2H-triazole;hydrobromide
CID 66801332
Methylsilyl-1,2,3-triazole
CID 67056275
Triazole dihydrochloride
CID 69568969
Triazolylborane
CID 85851986

Frequently Asked Questions

What is the IUPAC name of silyltriazole?
The IUPAC name of silyltriazole (CID 22051848) is not available.
What is the SMILES notation for silyltriazole?
The canonical SMILES for silyltriazole is [Si]c1cn[nH]n1.
What is the InChIKey of silyltriazole?
The InChIKey is CELAFSYSAMBHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N3Si/c6-2-1-3-5-4-2/h1H,(H,3,4,5).
What are the key properties of silyltriazole?
silyltriazole has a molecular weight of 96.14 g/mol, XLogP of -1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyltriazole is sourced from PubChem (CID 22051848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).