5H-imidazo[4,5-c]pyridazine-6-carbaldehyde

C6H4N4O — CID 112710724

IUPAC5H-imidazo[4,5-c]pyridazine-6-carbaldehyde
SMILESO=Cc1nc2nnccc2[nH]1
InChIInChI=1S/C6H4N4O/c11-3-5-8-4-1-2-7-10-6(4)9-5/h1-3H,(H,8,9,10)
InChIKeyJTAUJDLQFCWTJR-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.17
Rot. Bonds1

About 5H-imidazo[4,5-c]pyridazine-6-carbaldehyde

5H-imidazo[4,5-c]pyridazine-6-carbaldehyde (PubChem CID 112710724) has the molecular formula C6H4N4O and a molecular weight of 148.12 g/mol. Its IUPAC name is 5H-imidazo[4,5-c]pyridazine-6-carbaldehyde.

Molecular Properties

Compound Name5H-imidazo[4,5-c]pyridazine-6-carbaldehyde
PubChem CID112710724
Molecular FormulaC6H4N4O
Molecular Weight148.12 g/mol
Exact Mass148.04
IUPAC Name5H-imidazo[4,5-c]pyridazine-6-carbaldehyde
SMILESO=Cc1nc2nnccc2[nH]1
InChIInChI=1S/C6H4N4O/c11-3-5-8-4-1-2-7-10-6(4)9-5/h1-3H,(H,8,9,10)
InChIKeyJTAUJDLQFCWTJR-UHFFFAOYSA-N
XLogP0.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.17
H-Bond Donors ≤ 51
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 5H-imidazo[4,5-c]pyridazine-6-carbaldehyde?
The IUPAC name of 5H-imidazo[4,5-c]pyridazine-6-carbaldehyde (CID 112710724) is 5H-imidazo[4,5-c]pyridazine-6-carbaldehyde.
What is the SMILES notation for 5H-imidazo[4,5-c]pyridazine-6-carbaldehyde?
The canonical SMILES for 5H-imidazo[4,5-c]pyridazine-6-carbaldehyde is O=Cc1nc2nnccc2[nH]1.
What is the InChIKey of 5H-imidazo[4,5-c]pyridazine-6-carbaldehyde?
The InChIKey is JTAUJDLQFCWTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O/c11-3-5-8-4-1-2-7-10-6(4)9-5/h1-3H,(H,8,9,10).
What are the key properties of 5H-imidazo[4,5-c]pyridazine-6-carbaldehyde?
5H-imidazo[4,5-c]pyridazine-6-carbaldehyde has a molecular weight of 148.12 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-imidazo[4,5-c]pyridazine-6-carbaldehyde is sourced from PubChem (CID 112710724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).