2-(3-azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one

C13H20N6O2 — CID 114396856

IUPAC2-(3-azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
SMILESCC1(C)CN(c2cnn(CCCN=[N+]=[N-])c(=O)c2)CCO1
InChIInChI=1S/C13H20N6O2/c1-13(2)10-18(6-7-21-13)11-8-12(20)19(16-9-11)5-3-4-15-17-14/h8-9H,3-7,10H2,1-2H3
InChIKeyOUNPNGUTXILBNB-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.56
Rot. Bonds5

About 2-(3-azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one

2-(3-azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one (PubChem CID 114396856) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(3-azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
PubChem CID114396856
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name2-(3-azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
SMILESCC1(C)CN(c2cnn(CCCN=[N+]=[N-])c(=O)c2)CCO1
InChIInChI=1S/C13H20N6O2/c1-13(2)10-18(6-7-21-13)11-8-12(20)19(16-9-11)5-3-4-15-17-14/h8-9H,3-7,10H2,1-2H3
InChIKeyOUNPNGUTXILBNB-UHFFFAOYSA-N
XLogP1.56
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.56
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-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The IUPAC name of 2-(3-azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one (CID 114396856) is 2-(3-azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-(3-azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The canonical SMILES for 2-(3-azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one is CC1(C)CN(c2cnn(CCCN=[N+]=[N-])c(=O)c2)CCO1.
What is the InChIKey of 2-(3-azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The InChIKey is OUNPNGUTXILBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-13(2)10-18(6-7-21-13)11-8-12(20)19(16-9-11)5-3-4-15-17-14/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 2-(3-azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
2-(3-azidopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one has a molecular weight of 292.34 g/mol, XLogP of 1.56, 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-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one is sourced from PubChem (CID 114396856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).