4-azidopyridazine

C4H3N5 — CID 14792122

IUPAC4-azidopyridazine
SMILES[N-]=[N+]=Nc1ccnnc1
InChIInChI=1S/C4H3N5/c5-9-8-4-1-2-6-7-3-4/h1-3H
InChIKeyRJHSVKQRRDCUFD-UHFFFAOYSA-N
MW121.10 g/mol
LogP1.42
Rot. Bonds1

About 4-azidopyridazine

4-azidopyridazine (PubChem CID 14792122) has the molecular formula C4H3N5 and a molecular weight of 121.10 g/mol. Its IUPAC name is 4-azidopyridazine.

Molecular Properties

Compound Name4-azidopyridazine
PubChem CID14792122
Molecular FormulaC4H3N5
Molecular Weight121.10 g/mol
Exact Mass121.04
IUPAC Name4-azidopyridazine
SMILES[N-]=[N+]=Nc1ccnnc1
InChIInChI=1S/C4H3N5/c5-9-8-4-1-2-6-7-3-4/h1-3H
InChIKeyRJHSVKQRRDCUFD-UHFFFAOYSA-N
XLogP1.42
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-azidopyridazine?
The IUPAC name of 4-azidopyridazine (CID 14792122) is 4-azidopyridazine.
What is the SMILES notation for 4-azidopyridazine?
The canonical SMILES for 4-azidopyridazine is [N-]=[N+]=Nc1ccnnc1.
What is the InChIKey of 4-azidopyridazine?
The InChIKey is RJHSVKQRRDCUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5/c5-9-8-4-1-2-6-7-3-4/h1-3H.
What are the key properties of 4-azidopyridazine?
4-azidopyridazine has a molecular weight of 121.10 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidopyridazine is sourced from PubChem (CID 14792122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).