1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine

C24H36N6O3Si — CID 177493047

IUPAC1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine
SMILESCCO[Si](CCCn1cc(CN(Cc2ccccn2)Cc2ccccn2)nn1)(OCC)OCC
InChIInChI=1S/C24H36N6O3Si/c1-4-31-34(32-5-2,33-6-3)17-11-16-30-21-24(27-28-30)20-29(18-22-12-7-9-14-25-22)19-23-13-8-10-15-26-23/h7-10,12-15,21H,4-6,11,16-20H2,1-3H3
InChIKeyWZQHGEKWYKGRBC-UHFFFAOYSA-N
MW484.68 g/mol
LogP3.71
Rot. Bonds16

About 1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine

1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine (PubChem CID 177493047) has the molecular formula C24H36N6O3Si and a molecular weight of 484.68 g/mol. Its IUPAC name is 1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine
PubChem CID177493047
Molecular FormulaC24H36N6O3Si
Molecular Weight484.68 g/mol
Exact Mass484.26
IUPAC Name1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine
SMILESCCO[Si](CCCn1cc(CN(Cc2ccccn2)Cc2ccccn2)nn1)(OCC)OCC
InChIInChI=1S/C24H36N6O3Si/c1-4-31-34(32-5-2,33-6-3)17-11-16-30-21-24(27-28-30)20-29(18-22-12-7-9-14-25-22)19-23-13-8-10-15-26-23/h7-10,12-15,21H,4-6,11,16-20H2,1-3H3
InChIKeyWZQHGEKWYKGRBC-UHFFFAOYSA-N
XLogP3.71
TPSA87.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.68
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine?
The IUPAC name of 1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine (CID 177493047) is 1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine is CCO[Si](CCCn1cc(CN(Cc2ccccn2)Cc2ccccn2)nn1)(OCC)OCC.
What is the InChIKey of 1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine?
The InChIKey is WZQHGEKWYKGRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O3Si/c1-4-31-34(32-5-2,33-6-3)17-11-16-30-21-24(27-28-30)20-29(18-22-12-7-9-14-25-22)19-23-13-8-10-15-26-23/h7-10,12-15,21H,4-6,11,16-20H2,1-3H3.
What are the key properties of 1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine?
1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine has a molecular weight of 484.68 g/mol, XLogP of 3.71, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]methanamine is sourced from PubChem (CID 177493047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).