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

C12H18N6O2 — CID 114396857

IUPAC2-(2-azidoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
SMILESCC1(C)CN(c2cnn(CCN=[N+]=[N-])c(=O)c2)CCO1
InChIInChI=1S/C12H18N6O2/c1-12(2)9-17(5-6-20-12)10-7-11(19)18(15-8-10)4-3-14-16-13/h7-8H,3-6,9H2,1-2H3
InChIKeyCXNDGIDFPJSAPY-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.17
Rot. Bonds4

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

2-(2-azidoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one (PubChem CID 114396857) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-(2-azidoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-azidoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
PubChem CID114396857
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name2-(2-azidoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
SMILESCC1(C)CN(c2cnn(CCN=[N+]=[N-])c(=O)c2)CCO1
InChIInChI=1S/C12H18N6O2/c1-12(2)9-17(5-6-20-12)10-7-11(19)18(15-8-10)4-3-14-16-13/h7-8H,3-6,9H2,1-2H3
InChIKeyCXNDGIDFPJSAPY-UHFFFAOYSA-N
XLogP1.17
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.17
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-(2-azidoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The IUPAC name of 2-(2-azidoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one (CID 114396857) is 2-(2-azidoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2-azidoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The canonical SMILES for 2-(2-azidoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one is CC1(C)CN(c2cnn(CCN=[N+]=[N-])c(=O)c2)CCO1.
What is the InChIKey of 2-(2-azidoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The InChIKey is CXNDGIDFPJSAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-12(2)9-17(5-6-20-12)10-7-11(19)18(15-8-10)4-3-14-16-13/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2-(2-azidoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
2-(2-azidoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one has a molecular weight of 278.32 g/mol, XLogP of 1.17, 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-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one is sourced from PubChem (CID 114396857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).