2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine

C5H4N12O — CID 57145017

IUPAC2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine
SMILES[N-]=[N+]=NCCOc1nc(N=[N+]=[N-])nc(N=[N+]=[N-])n1
InChIInChI=1S/C5H4N12O/c6-15-9-1-2-18-5-11-3(13-16-7)10-4(12-5)14-17-8/h1-2H2
InChIKeyLBYFPIIWGMBPBP-UHFFFAOYSA-N
MW248.17 g/mol
LogP2.44
Rot. Bonds6

About 2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine

2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine (PubChem CID 57145017) has the molecular formula C5H4N12O and a molecular weight of 248.17 g/mol. Its IUPAC name is 2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine
PubChem CID57145017
Molecular FormulaC5H4N12O
Molecular Weight248.17 g/mol
Exact Mass248.06
IUPAC Name2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine
SMILES[N-]=[N+]=NCCOc1nc(N=[N+]=[N-])nc(N=[N+]=[N-])n1
InChIInChI=1S/C5H4N12O/c6-15-9-1-2-18-5-11-3(13-16-7)10-4(12-5)14-17-8/h1-2H2
InChIKeyLBYFPIIWGMBPBP-UHFFFAOYSA-N
XLogP2.44
TPSA194.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-diazido-6-(2-azidoethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine (CID 57145017) is 2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine is [N-]=[N+]=NCCOc1nc(N=[N+]=[N-])nc(N=[N+]=[N-])n1.
What is the InChIKey of 2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine?
The InChIKey is LBYFPIIWGMBPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N12O/c6-15-9-1-2-18-5-11-3(13-16-7)10-4(12-5)14-17-8/h1-2H2.
What are the key properties of 2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine?
2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine has a molecular weight of 248.17 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diazido-6-(2-azidoethoxy)-1,3,5-triazine is sourced from PubChem (CID 57145017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).