3-(azidomethyl)pyridazine

C5H5N5 — CID 89158171

IUPAC3-(azidomethyl)pyridazine
SMILES[N-]=[N+]=NCc1cccnn1
InChIInChI=1S/C5H5N5/c6-10-8-4-5-2-1-3-7-9-5/h1-3H,4H2
InChIKeyQOMOJMQGSVRJCD-UHFFFAOYSA-N
MW135.13 g/mol
LogP1.29
Rot. Bonds2

About 3-(azidomethyl)pyridazine

3-(azidomethyl)pyridazine (PubChem CID 89158171) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 3-(azidomethyl)pyridazine.

Molecular Properties

Compound Name3-(azidomethyl)pyridazine
PubChem CID89158171
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name3-(azidomethyl)pyridazine
SMILES[N-]=[N+]=NCc1cccnn1
InChIInChI=1S/C5H5N5/c6-10-8-4-5-2-1-3-7-9-5/h1-3H,4H2
InChIKeyQOMOJMQGSVRJCD-UHFFFAOYSA-N
XLogP1.29
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 51.29
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 3-(azidomethyl)pyridazine?
The IUPAC name of 3-(azidomethyl)pyridazine (CID 89158171) is 3-(azidomethyl)pyridazine.
What is the SMILES notation for 3-(azidomethyl)pyridazine?
The canonical SMILES for 3-(azidomethyl)pyridazine is [N-]=[N+]=NCc1cccnn1.
What is the InChIKey of 3-(azidomethyl)pyridazine?
The InChIKey is QOMOJMQGSVRJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c6-10-8-4-5-2-1-3-7-9-5/h1-3H,4H2.
What are the key properties of 3-(azidomethyl)pyridazine?
3-(azidomethyl)pyridazine has a molecular weight of 135.13 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)pyridazine is sourced from PubChem (CID 89158171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).