6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine

C9H5N7O3 — CID 46683882

IUPAC6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine
SMILESO=[N+]([O-])c1ncccc1Oc1ccc2nnnn2n1
InChIInChI=1S/C9H5N7O3/c17-16(18)9-6(2-1-5-10-9)19-8-4-3-7-11-13-14-15(7)12-8/h1-5H
InChIKeyKWBRDDJBMQBLGD-UHFFFAOYSA-N
MW259.19 g/mol
LogP0.61
Rot. Bonds3

About 6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine

6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine (PubChem CID 46683882) has the molecular formula C9H5N7O3 and a molecular weight of 259.19 g/mol. Its IUPAC name is 6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine
PubChem CID46683882
Molecular FormulaC9H5N7O3
Molecular Weight259.19 g/mol
Exact Mass259.05
IUPAC Name6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine
SMILESO=[N+]([O-])c1ncccc1Oc1ccc2nnnn2n1
InChIInChI=1S/C9H5N7O3/c17-16(18)9-6(2-1-5-10-9)19-8-4-3-7-11-13-14-15(7)12-8/h1-5H
InChIKeyKWBRDDJBMQBLGD-UHFFFAOYSA-N
XLogP0.61
TPSA121.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine (CID 46683882) is 6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine is O=[N+]([O-])c1ncccc1Oc1ccc2nnnn2n1.
What is the InChIKey of 6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine?
The InChIKey is KWBRDDJBMQBLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N7O3/c17-16(18)9-6(2-1-5-10-9)19-8-4-3-7-11-13-14-15(7)12-8/h1-5H.
What are the key properties of 6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine?
6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine has a molecular weight of 259.19 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 46683882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).