4-azido-1H-pyridazin-6-one

C4H3N5O — CID 136657760

IUPAC4-azido-1H-pyridazin-6-one
SMILES[N-]=[N+]=Nc1cn[nH]c(=O)c1
InChIInChI=1S/C4H3N5O/c5-9-7-3-1-4(10)8-6-2-3/h1-2H,(H,8,10)
InChIKeyWVSGDUJJXVXEDE-UHFFFAOYSA-N
MW137.10 g/mol
LogP0.71
Rot. Bonds1

About 4-azido-1H-pyridazin-6-one

4-azido-1H-pyridazin-6-one (PubChem CID 136657760) has the molecular formula C4H3N5O and a molecular weight of 137.10 g/mol. Its IUPAC name is 4-azido-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-azido-1H-pyridazin-6-one
PubChem CID136657760
Molecular FormulaC4H3N5O
Molecular Weight137.10 g/mol
Exact Mass137.03
IUPAC Name4-azido-1H-pyridazin-6-one
SMILES[N-]=[N+]=Nc1cn[nH]c(=O)c1
InChIInChI=1S/C4H3N5O/c5-9-7-3-1-4(10)8-6-2-3/h1-2H,(H,8,10)
InChIKeyWVSGDUJJXVXEDE-UHFFFAOYSA-N
XLogP0.71
TPSA94.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 50.71
H-Bond Donors ≤ 51
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-azido-1H-pyridazin-6-one?
The IUPAC name of 4-azido-1H-pyridazin-6-one (CID 136657760) is 4-azido-1H-pyridazin-6-one.
What is the SMILES notation for 4-azido-1H-pyridazin-6-one?
The canonical SMILES for 4-azido-1H-pyridazin-6-one is [N-]=[N+]=Nc1cn[nH]c(=O)c1.
What is the InChIKey of 4-azido-1H-pyridazin-6-one?
The InChIKey is WVSGDUJJXVXEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5O/c5-9-7-3-1-4(10)8-6-2-3/h1-2H,(H,8,10).
What are the key properties of 4-azido-1H-pyridazin-6-one?
4-azido-1H-pyridazin-6-one has a molecular weight of 137.10 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1H-pyridazin-6-one is sourced from PubChem (CID 136657760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).