6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde

C16H18N2O — CID 82298873

IUPAC6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde
SMILESCc1ccc(C(C)(C)C)cc1-c1ccc(C=O)nn1
InChIInChI=1S/C16H18N2O/c1-11-5-6-12(16(2,3)4)9-14(11)15-8-7-13(10-19)17-18-15/h5-10H,1-4H3
InChIKeyHPBGEZJJVNOEEV-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.56
Rot. Bonds2

About 6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde

6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde (PubChem CID 82298873) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde
PubChem CID82298873
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde
SMILESCc1ccc(C(C)(C)C)cc1-c1ccc(C=O)nn1
InChIInChI=1S/C16H18N2O/c1-11-5-6-12(16(2,3)4)9-14(11)15-8-7-13(10-19)17-18-15/h5-10H,1-4H3
InChIKeyHPBGEZJJVNOEEV-UHFFFAOYSA-N
XLogP3.56
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.56
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 6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde?
The IUPAC name of 6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde (CID 82298873) is 6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde.
What is the SMILES notation for 6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde?
The canonical SMILES for 6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde is Cc1ccc(C(C)(C)C)cc1-c1ccc(C=O)nn1.
What is the InChIKey of 6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde?
The InChIKey is HPBGEZJJVNOEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-5-6-12(16(2,3)4)9-14(11)15-8-7-13(10-19)17-18-15/h5-10H,1-4H3.
What are the key properties of 6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde?
6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde has a molecular weight of 254.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-tert-butyl-2-methylphenyl)pyridazine-3-carbaldehyde is sourced from PubChem (CID 82298873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).