(2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane

C10H13N3Si — CID 150697284

IUPAC(2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane
SMILESCc1ccccc1C[SiH2]n1cncn1
InChIInChI=1S/C10H13N3Si/c1-9-4-2-3-5-10(9)6-14-13-8-11-7-12-13/h2-5,7-8H,6,14H2,1H3
InChIKeyJLCMWIDEWIMEDK-UHFFFAOYSA-N
MW203.32 g/mol
LogP0.72
Rot. Bonds3

About (2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane

(2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane (PubChem CID 150697284) has the molecular formula C10H13N3Si and a molecular weight of 203.32 g/mol. Its IUPAC name is (2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane.

Molecular Properties

Compound Name(2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane
PubChem CID150697284
Molecular FormulaC10H13N3Si
Molecular Weight203.32 g/mol
Exact Mass203.09
IUPAC Name(2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane
SMILESCc1ccccc1C[SiH2]n1cncn1
InChIInChI=1S/C10H13N3Si/c1-9-4-2-3-5-10(9)6-14-13-8-11-7-12-13/h2-5,7-8H,6,14H2,1H3
InChIKeyJLCMWIDEWIMEDK-UHFFFAOYSA-N
XLogP0.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.32
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane?
The IUPAC name of (2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane (CID 150697284) is (2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane.
What is the SMILES notation for (2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane?
The canonical SMILES for (2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane is Cc1ccccc1C[SiH2]n1cncn1.
What is the InChIKey of (2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane?
The InChIKey is JLCMWIDEWIMEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3Si/c1-9-4-2-3-5-10(9)6-14-13-8-11-7-12-13/h2-5,7-8H,6,14H2,1H3.
What are the key properties of (2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane?
(2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane has a molecular weight of 203.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane is sourced from PubChem (CID 150697284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).