N-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine

C23H22N4Si — CID 140624613

IUPACN-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine
SMILESCCN(c1ncncn1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N4Si/c1-2-27(23-25-18-24-19-26-23)28(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,2H2,1H3
InChIKeyMSQSSWIUTAGGFI-UHFFFAOYSA-N
MW382.54 g/mol
LogP2.37
Rot. Bonds6

About N-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine

N-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine (PubChem CID 140624613) has the molecular formula C23H22N4Si and a molecular weight of 382.54 g/mol. Its IUPAC name is N-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine
PubChem CID140624613
Molecular FormulaC23H22N4Si
Molecular Weight382.54 g/mol
Exact Mass382.16
IUPAC NameN-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine
SMILESCCN(c1ncncn1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N4Si/c1-2-27(23-25-18-24-19-26-23)28(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,2H2,1H3
InChIKeyMSQSSWIUTAGGFI-UHFFFAOYSA-N
XLogP2.37
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine (CID 140624613) is N-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine is CCN(c1ncncn1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine?
The InChIKey is MSQSSWIUTAGGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4Si/c1-2-27(23-25-18-24-19-26-23)28(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,2H2,1H3.
What are the key properties of N-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine?
N-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine has a molecular weight of 382.54 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-triphenylsilyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 140624613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).