2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde

C9H6F3N3O — CID 82391106

IUPAC2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde
SMILESCc1ccc2c(C=O)nc(C(F)(F)F)n2n1
InChIInChI=1S/C9H6F3N3O/c1-5-2-3-7-6(4-16)13-8(9(10,11)12)15(7)14-5/h2-4H,1H3
InChIKeyCPKJCEOMHFMSOU-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.87
Rot. Bonds1

About 2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde

2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde (PubChem CID 82391106) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde
PubChem CID82391106
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde
SMILESCc1ccc2c(C=O)nc(C(F)(F)F)n2n1
InChIInChI=1S/C9H6F3N3O/c1-5-2-3-7-6(4-16)13-8(9(10,11)12)15(7)14-5/h2-4H,1H3
InChIKeyCPKJCEOMHFMSOU-UHFFFAOYSA-N
XLogP1.87
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde?
The IUPAC name of 2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde (CID 82391106) is 2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde.
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde is Cc1ccc2c(C=O)nc(C(F)(F)F)n2n1.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde?
The InChIKey is CPKJCEOMHFMSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c1-5-2-3-7-6(4-16)13-8(9(10,11)12)15(7)14-5/h2-4H,1H3.
What are the key properties of 2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde?
2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde has a molecular weight of 229.16 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)imidazo[1,5-b]pyridazine-5-carbaldehyde is sourced from PubChem (CID 82391106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).