2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one

C11H16N6O2 — CID 114396842

IUPAC2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one
SMILES[N-]=[N+]=NCCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C11H16N6O2/c12-15-13-2-1-3-17-11(18)8-10(9-14-17)16-4-6-19-7-5-16/h8-9H,1-7H2
InChIKeyCQHVNVSPQHVPJW-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.78
Rot. Bonds5

About 2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one

2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one (PubChem CID 114396842) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one
PubChem CID114396842
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one
SMILES[N-]=[N+]=NCCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C11H16N6O2/c12-15-13-2-1-3-17-11(18)8-10(9-14-17)16-4-6-19-7-5-16/h8-9H,1-7H2
InChIKeyCQHVNVSPQHVPJW-UHFFFAOYSA-N
XLogP0.78
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one (CID 114396842) is 2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one is [N-]=[N+]=NCCCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is CQHVNVSPQHVPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c12-15-13-2-1-3-17-11(18)8-10(9-14-17)16-4-6-19-7-5-16/h8-9H,1-7H2.
What are the key properties of 2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one?
2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 264.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropyl)-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 114396842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).