6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde

C6H7N5O — CID 123251197

IUPAC6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde
SMILESCc1cc(C=O)nnc1/N=N/N
InChIInChI=1S/C6H7N5O/c1-4-2-5(3-12)8-9-6(4)10-11-7/h2-3H,1H3,(H2,7,9,10)
InChIKeyAXVVUXIUCKELDW-UHFFFAOYSA-N
MW165.16 g/mol
LogP0.55
Rot. Bonds2

About 6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde

6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde (PubChem CID 123251197) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde
PubChem CID123251197
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde
SMILESCc1cc(C=O)nnc1/N=N/N
InChIInChI=1S/C6H7N5O/c1-4-2-5(3-12)8-9-6(4)10-11-7/h2-3H,1H3,(H2,7,9,10)
InChIKeyAXVVUXIUCKELDW-UHFFFAOYSA-N
XLogP0.55
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde?
The IUPAC name of 6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde (CID 123251197) is 6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde.
What is the SMILES notation for 6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde?
The canonical SMILES for 6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde is Cc1cc(C=O)nnc1/N=N/N.
What is the InChIKey of 6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde?
The InChIKey is AXVVUXIUCKELDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-4-2-5(3-12)8-9-6(4)10-11-7/h2-3H,1H3,(H2,7,9,10).
What are the key properties of 6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde?
6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde has a molecular weight of 165.16 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminodiazenyl)-5-methylpyridazine-3-carbaldehyde is sourced from PubChem (CID 123251197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).