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'}

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

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Related Compounds

triethoxy-[3-[4-[[(2S,3S)-3-phenyloxiran-2-yl]methoxymethyl]triazol-1-yl]propyl]silane
CID 54578563
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-[[2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]acetyl]amino]propanoic acid
CID 135235269
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
[1-[3-[ethoxy(dihydroxy)silyl]propyl]triazol-4-yl]methanol
CID 101428364
3-(benzotriazol-2-yl)propyl-triethoxysilane
CID 168967771
6-amino-2-[[1-(3-triethoxysilylpropyl)triazol-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
CID 54578791
methyl (2R)-2-[[(2S)-6-acetamido-2-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]hexanoyl]amino]propanoate
CID 155551017
1-cyclopenta-2,4-dien-1-yl-N-[[4-[4-[1-(3-triethoxysilylpropyl)triazol-4-yl]butoxy]phenyl]methyl]methanamine
CID 102237214
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513

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).