7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde

C8H8N2O2 — CID 59271931

IUPAC7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde
SMILESO=Cc1cc2c(nn1)CCOC2
InChIInChI=1S/C8H8N2O2/c11-4-7-3-6-5-12-2-1-8(6)10-9-7/h3-4H,1-2,5H2
InChIKeyWEJRGMIXOFDNPL-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.36
Rot. Bonds1

About 7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde

7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde (PubChem CID 59271931) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde
PubChem CID59271931
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde
SMILESO=Cc1cc2c(nn1)CCOC2
InChIInChI=1S/C8H8N2O2/c11-4-7-3-6-5-12-2-1-8(6)10-9-7/h3-4H,1-2,5H2
InChIKeyWEJRGMIXOFDNPL-UHFFFAOYSA-N
XLogP0.36
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.36
H-Bond Donors ≤ 50
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 7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde?
The IUPAC name of 7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde (CID 59271931) is 7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde.
What is the SMILES notation for 7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde?
The canonical SMILES for 7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde is O=Cc1cc2c(nn1)CCOC2.
What is the InChIKey of 7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde?
The InChIKey is WEJRGMIXOFDNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-4-7-3-6-5-12-2-1-8(6)10-9-7/h3-4H,1-2,5H2.
What are the key properties of 7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde?
7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde has a molecular weight of 164.16 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde is sourced from PubChem (CID 59271931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).