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

C13H18N4Si — CID 135416800

IUPACN-(4-methylphenyl)-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine
SMILESCc1ccc(/N=C/c2n[nH]nc2[Si](C)(C)C)cc1
InChIInChI=1S/C13H18N4Si/c1-10-5-7-11(8-6-10)14-9-12-13(16-17-15-12)18(2,3)4/h5-9H,1-4H3,(H,15,16,17)/b14-9+
InChIKeyZFXRWMPQLGNHDM-NTEUORMPSA-N
MW258.40 g/mol
LogP2.41
Rot. Bonds3

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

N-(4-methylphenyl)-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine (PubChem CID 135416800) has the molecular formula C13H18N4Si and a molecular weight of 258.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine
PubChem CID135416800
Molecular FormulaC13H18N4Si
Molecular Weight258.40 g/mol
Exact Mass258.13
IUPAC NameN-(4-methylphenyl)-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine
SMILESCc1ccc(/N=C/c2n[nH]nc2[Si](C)(C)C)cc1
InChIInChI=1S/C13H18N4Si/c1-10-5-7-11(8-6-10)14-9-12-13(16-17-15-12)18(2,3)4/h5-9H,1-4H3,(H,15,16,17)/b14-9+
InChIKeyZFXRWMPQLGNHDM-NTEUORMPSA-N
XLogP2.41
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 52.41
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-(4-methylphenyl)-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine?
The IUPAC name of N-(4-methylphenyl)-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine (CID 135416800) is N-(4-methylphenyl)-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine.
What is the SMILES notation for N-(4-methylphenyl)-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine?
The canonical SMILES for N-(4-methylphenyl)-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine is Cc1ccc(/N=C/c2n[nH]nc2[Si](C)(C)C)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine?
The InChIKey is ZFXRWMPQLGNHDM-NTEUORMPSA-N. The full InChI is InChI=1S/C13H18N4Si/c1-10-5-7-11(8-6-10)14-9-12-13(16-17-15-12)18(2,3)4/h5-9H,1-4H3,(H,15,16,17)/b14-9+.
What are the key properties of N-(4-methylphenyl)-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine?
N-(4-methylphenyl)-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine has a molecular weight of 258.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(5-trimethylsilyl-2H-triazol-4-yl)methanimine is sourced from PubChem (CID 135416800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).