2,4-diazido-6-ethoxy-1,3,5-triazine

C5H5N9O — CID 14494375

IUPAC2,4-diazido-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(N=[N+]=[N-])nc(N=[N+]=[N-])n1
InChIInChI=1S/C5H5N9O/c1-2-15-5-9-3(11-13-6)8-4(10-5)12-14-7/h2H2,1H3
InChIKeyYLNZGVHZZGZSQA-UHFFFAOYSA-N
MW207.16 g/mol
LogP2.15
Rot. Bonds4

About 2,4-diazido-6-ethoxy-1,3,5-triazine

2,4-diazido-6-ethoxy-1,3,5-triazine (PubChem CID 14494375) has the molecular formula C5H5N9O and a molecular weight of 207.16 g/mol. Its IUPAC name is 2,4-diazido-6-ethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diazido-6-ethoxy-1,3,5-triazine
PubChem CID14494375
Molecular FormulaC5H5N9O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name2,4-diazido-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(N=[N+]=[N-])nc(N=[N+]=[N-])n1
InChIInChI=1S/C5H5N9O/c1-2-15-5-9-3(11-13-6)8-4(10-5)12-14-7/h2H2,1H3
InChIKeyYLNZGVHZZGZSQA-UHFFFAOYSA-N
XLogP2.15
TPSA145.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-diazido-6-ethoxy-1,3,5-triazine?
The IUPAC name of 2,4-diazido-6-ethoxy-1,3,5-triazine (CID 14494375) is 2,4-diazido-6-ethoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-diazido-6-ethoxy-1,3,5-triazine?
The canonical SMILES for 2,4-diazido-6-ethoxy-1,3,5-triazine is CCOc1nc(N=[N+]=[N-])nc(N=[N+]=[N-])n1.
What is the InChIKey of 2,4-diazido-6-ethoxy-1,3,5-triazine?
The InChIKey is YLNZGVHZZGZSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N9O/c1-2-15-5-9-3(11-13-6)8-4(10-5)12-14-7/h2H2,1H3.
What are the key properties of 2,4-diazido-6-ethoxy-1,3,5-triazine?
2,4-diazido-6-ethoxy-1,3,5-triazine has a molecular weight of 207.16 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diazido-6-ethoxy-1,3,5-triazine is sourced from PubChem (CID 14494375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).