4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine

C21H42N10O6Si2 — CID 140611645

About 4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine

4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine (PubChem CID 140611645) has the molecular formula C21H42N10O6Si2 and a molecular weight of 586.80 g/mol. Its IUPAC name is 4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine
• PubChem CID: 140611645
• Molecular Formula: C21H42N10O6Si2
• Molecular Weight: 586.80 g/mol
• Exact Mass: 586.28
• IUPAC Name: 4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine
• SMILES: CCO[Si](OCC)(OCC)C(CC)N(c1nc(N=[N+]=[N-])nc(N=[N+]=[N-])n1)C(CC)[Si](OCC)(OCC)OCC
• InChI: InChI=1S/C21H42N10O6Si2/c1-9-17(38(32-11-3,33-12-4)34-13-5)31(18(10-2)39(35-14-6,36-15-7)37-16-8)21-25-19(27-29-22)24-20(26-21)28-30-23/h17-18H,9-16H2,1-8H3
• InChIKey: AEPNGUTXKCAVBB-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 194.81 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	586.80
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine?

The IUPAC name of 4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine (CID 140611645) is 4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine.

What is the SMILES notation for 4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine?

The canonical SMILES for 4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine is CCO[Si](OCC)(OCC)C(CC)N(c1nc(N=[N+]=[N-])nc(N=[N+]=[N-])n1)C(CC)[Si](OCC)(OCC)OCC.

What is the InChIKey of 4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine?

The InChIKey is AEPNGUTXKCAVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N10O6Si2/c1-9-17(38(32-11-3,33-12-4)34-13-5)31(18(10-2)39(35-14-6,36-15-7)37-16-8)21-25-19(27-29-22)24-20(26-21)28-30-23/h17-18H,9-16H2,1-8H3.

What are the key properties of 4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine?

4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 586.80 g/mol, XLogP of 5.29, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 140611645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).