2-(3-azidopropyl)-6-methoxypyridazin-3-one

C8H11N5O2 — CID 105061961

IUPAC2-(3-azidopropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCN=[N+]=[N-])n1
InChIInChI=1S/C8H11N5O2/c1-15-7-3-4-8(14)13(11-7)6-2-5-10-12-9/h3-4H,2,5-6H2,1H3
InChIKeyAQTLJTKHZLSTLW-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.95
Rot. Bonds5

About 2-(3-azidopropyl)-6-methoxypyridazin-3-one

2-(3-azidopropyl)-6-methoxypyridazin-3-one (PubChem CID 105061961) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-(3-azidopropyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(3-azidopropyl)-6-methoxypyridazin-3-one
PubChem CID105061961
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name2-(3-azidopropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCN=[N+]=[N-])n1
InChIInChI=1S/C8H11N5O2/c1-15-7-3-4-8(14)13(11-7)6-2-5-10-12-9/h3-4H,2,5-6H2,1H3
InChIKeyAQTLJTKHZLSTLW-UHFFFAOYSA-N
XLogP0.95
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-azidopropyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(3-azidopropyl)-6-methoxypyridazin-3-one (CID 105061961) is 2-(3-azidopropyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(3-azidopropyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(3-azidopropyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCCN=[N+]=[N-])n1.
What is the InChIKey of 2-(3-azidopropyl)-6-methoxypyridazin-3-one?
The InChIKey is AQTLJTKHZLSTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-15-7-3-4-8(14)13(11-7)6-2-5-10-12-9/h3-4H,2,5-6H2,1H3.
What are the key properties of 2-(3-azidopropyl)-6-methoxypyridazin-3-one?
2-(3-azidopropyl)-6-methoxypyridazin-3-one has a molecular weight of 209.21 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).