2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal

C8H8N6O — CID 90461717

IUPAC2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal
SMILESCC(C=O)c1ccc(-n2cnnn2)nn1
InChIInChI=1S/C8H8N6O/c1-6(4-15)7-2-3-8(11-10-7)14-5-9-12-13-14/h2-6H,1H3
InChIKeyYRZHLYLGLKHPDO-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.25
Rot. Bonds3

About 2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal

2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal (PubChem CID 90461717) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal.

Molecular Properties

Compound Name2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal
PubChem CID90461717
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal
SMILESCC(C=O)c1ccc(-n2cnnn2)nn1
InChIInChI=1S/C8H8N6O/c1-6(4-15)7-2-3-8(11-10-7)14-5-9-12-13-14/h2-6H,1H3
InChIKeyYRZHLYLGLKHPDO-UHFFFAOYSA-N
XLogP-0.25
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal?
The IUPAC name of 2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal (CID 90461717) is 2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal.
What is the SMILES notation for 2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal?
The canonical SMILES for 2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal is CC(C=O)c1ccc(-n2cnnn2)nn1.
What is the InChIKey of 2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal?
The InChIKey is YRZHLYLGLKHPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O/c1-6(4-15)7-2-3-8(11-10-7)14-5-9-12-13-14/h2-6H,1H3.
What are the key properties of 2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal?
2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal has a molecular weight of 204.19 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(tetrazol-1-yl)pyridazin-3-yl]propanal is sourced from PubChem (CID 90461717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).