N-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine

C12H16N4Si — CID 135447068

IUPACN-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine
SMILESC[Si](C)(C)c1n[nH]nc1/C=N/c1ccccc1
InChIInChI=1S/C12H16N4Si/c1-17(2,3)12-11(14-16-15-12)9-13-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,15,16)/b13-9+
InChIKeyMONKCNGJGQIKCX-UKTHLTGXSA-N
MW244.37 g/mol
LogP2.10
Rot. Bonds3

About N-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine

N-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine (PubChem CID 135447068) has the molecular formula C12H16N4Si and a molecular weight of 244.37 g/mol. Its IUPAC name is N-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine.

Molecular Properties

Compound NameN-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine
PubChem CID135447068
Molecular FormulaC12H16N4Si
Molecular Weight244.37 g/mol
Exact Mass244.11
IUPAC NameN-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine
SMILESC[Si](C)(C)c1n[nH]nc1/C=N/c1ccccc1
InChIInChI=1S/C12H16N4Si/c1-17(2,3)12-11(14-16-15-12)9-13-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,15,16)/b13-9+
InChIKeyMONKCNGJGQIKCX-UKTHLTGXSA-N
XLogP2.10
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine?
The IUPAC name of N-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine (CID 135447068) is N-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine.
What is the SMILES notation for N-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine?
The canonical SMILES for N-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine is C[Si](C)(C)c1n[nH]nc1/C=N/c1ccccc1.
What is the InChIKey of N-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine?
The InChIKey is MONKCNGJGQIKCX-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H16N4Si/c1-17(2,3)12-11(14-16-15-12)9-13-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,15,16)/b13-9+.
What are the key properties of N-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine?
N-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine has a molecular weight of 244.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine is sourced from PubChem (CID 135447068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).