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

C10H14N6O2 — CID 114396843

IUPAC2-(2-azidoethyl)-5-morpholin-4-ylpyridazin-3-one
SMILES[N-]=[N+]=NCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C10H14N6O2/c11-14-12-1-2-16-10(17)7-9(8-13-16)15-3-5-18-6-4-15/h7-8H,1-6H2
InChIKeyZIRUJFBCYDJNFF-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.39
Rot. Bonds4

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

2-(2-azidoethyl)-5-morpholin-4-ylpyridazin-3-one (PubChem CID 114396843) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(2-azidoethyl)-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-azidoethyl)-5-morpholin-4-ylpyridazin-3-one
PubChem CID114396843
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name2-(2-azidoethyl)-5-morpholin-4-ylpyridazin-3-one
SMILES[N-]=[N+]=NCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C10H14N6O2/c11-14-12-1-2-16-10(17)7-9(8-13-16)15-3-5-18-6-4-15/h7-8H,1-6H2
InChIKeyZIRUJFBCYDJNFF-UHFFFAOYSA-N
XLogP0.39
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.39
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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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
Trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746472
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one
CID 114393531
Ethyl 2-fluoro-2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 114393937
5-Morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397510
Trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide
CID 114398753
2-(2-butyn-1-yl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 30877097
4,5-Diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 59646973
4,5-Diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride
CID 69310300
2-Chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one
CID 71281001

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethyl)-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-(2-azidoethyl)-5-morpholin-4-ylpyridazin-3-one (CID 114396843) is 2-(2-azidoethyl)-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-azidoethyl)-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-(2-azidoethyl)-5-morpholin-4-ylpyridazin-3-one is [N-]=[N+]=NCCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-(2-azidoethyl)-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is ZIRUJFBCYDJNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c11-14-12-1-2-16-10(17)7-9(8-13-16)15-3-5-18-6-4-15/h7-8H,1-6H2.
What are the key properties of 2-(2-azidoethyl)-5-morpholin-4-ylpyridazin-3-one?
2-(2-azidoethyl)-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 250.26 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethyl)-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 114396843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).