6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile

C9H6N4O — CID 118278228

IUPAC6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile
SMILESCc1c(C#N)nc2ccc(C=O)nn12
InChIInChI=1S/C9H6N4O/c1-6-8(4-10)11-9-3-2-7(5-14)12-13(6)9/h2-3,5H,1H3
InChIKeyGYFIBEMNKAKPIB-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.72
Rot. Bonds1

About 6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile

6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile (PubChem CID 118278228) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is 6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile.

Molecular Properties

Compound Name6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile
PubChem CID118278228
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC Name6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile
SMILESCc1c(C#N)nc2ccc(C=O)nn12
InChIInChI=1S/C9H6N4O/c1-6-8(4-10)11-9-3-2-7(5-14)12-13(6)9/h2-3,5H,1H3
InChIKeyGYFIBEMNKAKPIB-UHFFFAOYSA-N
XLogP0.72
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile?
The IUPAC name of 6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile (CID 118278228) is 6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile.
What is the SMILES notation for 6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile?
The canonical SMILES for 6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile is Cc1c(C#N)nc2ccc(C=O)nn12.
What is the InChIKey of 6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile?
The InChIKey is GYFIBEMNKAKPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c1-6-8(4-10)11-9-3-2-7(5-14)12-13(6)9/h2-3,5H,1H3.
What are the key properties of 6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile?
6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile has a molecular weight of 186.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-3-methylimidazo[1,2-b]pyridazine-2-carbonitrile is sourced from PubChem (CID 118278228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).