3-aminopyridazine-4-carbaldehyde

C5H5N3O — CID 87280033

IUPAC3-aminopyridazine-4-carbaldehyde
SMILESNc1nnccc1C=O
InChIInChI=1S/C5H5N3O/c6-5-4(3-9)1-2-7-8-5/h1-3H,(H2,6,8)
InChIKeyLQBHYJMLAOQVDJ-UHFFFAOYSA-N
MW123.11 g/mol
LogP-0.13
Rot. Bonds1

About 3-aminopyridazine-4-carbaldehyde

3-aminopyridazine-4-carbaldehyde (PubChem CID 87280033) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is 3-aminopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name3-aminopyridazine-4-carbaldehyde
PubChem CID87280033
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Name3-aminopyridazine-4-carbaldehyde
SMILESNc1nnccc1C=O
InChIInChI=1S/C5H5N3O/c6-5-4(3-9)1-2-7-8-5/h1-3H,(H2,6,8)
InChIKeyLQBHYJMLAOQVDJ-UHFFFAOYSA-N
XLogP-0.13
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 5-0.13
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 3-aminopyridazine-4-carbaldehyde?
The IUPAC name of 3-aminopyridazine-4-carbaldehyde (CID 87280033) is 3-aminopyridazine-4-carbaldehyde.
What is the SMILES notation for 3-aminopyridazine-4-carbaldehyde?
The canonical SMILES for 3-aminopyridazine-4-carbaldehyde is Nc1nnccc1C=O.
What is the InChIKey of 3-aminopyridazine-4-carbaldehyde?
The InChIKey is LQBHYJMLAOQVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c6-5-4(3-9)1-2-7-8-5/h1-3H,(H2,6,8).
What are the key properties of 3-aminopyridazine-4-carbaldehyde?
3-aminopyridazine-4-carbaldehyde has a molecular weight of 123.11 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyridazine-4-carbaldehyde is sourced from PubChem (CID 87280033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).