2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine

C9H16N8O3 — CID 57130325

IUPAC2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine
SMILES[N-]=[N+]=NCCOc1nc(OCCN)nc(OCCN)n1
InChIInChI=1S/C9H16N8O3/c10-1-4-18-7-14-8(19-5-2-11)16-9(15-7)20-6-3-13-17-12/h1-6,10-11H2
InChIKeyPPCYTYCYHQVHLD-UHFFFAOYSA-N
MW284.28 g/mol
LogP-0.76
Rot. Bonds10

About 2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine

2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine (PubChem CID 57130325) has the molecular formula C9H16N8O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine
PubChem CID57130325
Molecular FormulaC9H16N8O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine
SMILES[N-]=[N+]=NCCOc1nc(OCCN)nc(OCCN)n1
InChIInChI=1S/C9H16N8O3/c10-1-4-18-7-14-8(19-5-2-11)16-9(15-7)20-6-3-13-17-12/h1-6,10-11H2
InChIKeyPPCYTYCYHQVHLD-UHFFFAOYSA-N
XLogP-0.76
TPSA167.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine?
The IUPAC name of 2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine (CID 57130325) is 2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine.
What is the SMILES notation for 2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine?
The canonical SMILES for 2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine is [N-]=[N+]=NCCOc1nc(OCCN)nc(OCCN)n1.
What is the InChIKey of 2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine?
The InChIKey is PPCYTYCYHQVHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N8O3/c10-1-4-18-7-14-8(19-5-2-11)16-9(15-7)20-6-3-13-17-12/h1-6,10-11H2.
What are the key properties of 2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine?
2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine has a molecular weight of 284.28 g/mol, XLogP of -0.76, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-aminoethoxy)-6-(2-azidoethoxy)-1,3,5-triazin-2-yl]oxy]ethanamine is sourced from PubChem (CID 57130325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).