4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one

C9H10N6O — CID 168658496

IUPAC4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ccnnc2)C1
InChIInChI=1S/C9H10N6O/c10-14-13-4-7-3-9(16)15(6-7)8-1-2-11-12-5-8/h1-2,5,7H,3-4,6H2
InChIKeyAISTUXXHXILKJZ-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.14
Rot. Bonds3

About 4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one

4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one (PubChem CID 168658496) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one
PubChem CID168658496
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ccnnc2)C1
InChIInChI=1S/C9H10N6O/c10-14-13-4-7-3-9(16)15(6-7)8-1-2-11-12-5-8/h1-2,5,7H,3-4,6H2
InChIKeyAISTUXXHXILKJZ-UHFFFAOYSA-N
XLogP1.14
TPSA94.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one (CID 168658496) is 4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(c2ccnnc2)C1.
What is the InChIKey of 4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one?
The InChIKey is AISTUXXHXILKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c10-14-13-4-7-3-9(16)15(6-7)8-1-2-11-12-5-8/h1-2,5,7H,3-4,6H2.
What are the key properties of 4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one?
4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one has a molecular weight of 218.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 168658496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).