5,6-dimethylpyridazine-3-carbaldehyde

C7H8N2O — CID 89417225

IUPAC5,6-dimethylpyridazine-3-carbaldehyde
SMILESCc1cc(C=O)nnc1C
InChIInChI=1S/C7H8N2O/c1-5-3-7(4-10)9-8-6(5)2/h3-4H,1-2H3
InChIKeyFZDHKDFMKAAUDF-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.91
Rot. Bonds1

About 5,6-dimethylpyridazine-3-carbaldehyde

5,6-dimethylpyridazine-3-carbaldehyde (PubChem CID 89417225) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 5,6-dimethylpyridazine-3-carbaldehyde.

Molecular Properties

Compound Name5,6-dimethylpyridazine-3-carbaldehyde
PubChem CID89417225
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name5,6-dimethylpyridazine-3-carbaldehyde
SMILESCc1cc(C=O)nnc1C
InChIInChI=1S/C7H8N2O/c1-5-3-7(4-10)9-8-6(5)2/h3-4H,1-2H3
InChIKeyFZDHKDFMKAAUDF-UHFFFAOYSA-N
XLogP0.91
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylpyridazine-3-carbaldehyde?
The IUPAC name of 5,6-dimethylpyridazine-3-carbaldehyde (CID 89417225) is 5,6-dimethylpyridazine-3-carbaldehyde.
What is the SMILES notation for 5,6-dimethylpyridazine-3-carbaldehyde?
The canonical SMILES for 5,6-dimethylpyridazine-3-carbaldehyde is Cc1cc(C=O)nnc1C.
What is the InChIKey of 5,6-dimethylpyridazine-3-carbaldehyde?
The InChIKey is FZDHKDFMKAAUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-5-3-7(4-10)9-8-6(5)2/h3-4H,1-2H3.
What are the key properties of 5,6-dimethylpyridazine-3-carbaldehyde?
5,6-dimethylpyridazine-3-carbaldehyde has a molecular weight of 136.15 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylpyridazine-3-carbaldehyde is sourced from PubChem (CID 89417225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).