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

C9H10N2O — CID 68713716

IUPAC3-ethenyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine
SMILESC=Cc1cc2c(nn1)CCOC2
InChIInChI=1S/C9H10N2O/c1-2-8-5-7-6-12-4-3-9(7)11-10-8/h2,5H,1,3-4,6H2
InChIKeyXXLUWRPQGSQDOF-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.19
Rot. Bonds1

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

3-ethenyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine (PubChem CID 68713716) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-ethenyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine.

Molecular Properties

Compound Name3-ethenyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine
PubChem CID68713716
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-ethenyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine
SMILESC=Cc1cc2c(nn1)CCOC2
InChIInChI=1S/C9H10N2O/c1-2-8-5-7-6-12-4-3-9(7)11-10-8/h2,5H,1,3-4,6H2
InChIKeyXXLUWRPQGSQDOF-UHFFFAOYSA-N
XLogP1.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine?
The IUPAC name of 3-ethenyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine (CID 68713716) is 3-ethenyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine.
What is the SMILES notation for 3-ethenyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine?
The canonical SMILES for 3-ethenyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine is C=Cc1cc2c(nn1)CCOC2.
What is the InChIKey of 3-ethenyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine?
The InChIKey is XXLUWRPQGSQDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-8-5-7-6-12-4-3-9(7)11-10-8/h2,5H,1,3-4,6H2.
What are the key properties of 3-ethenyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine?
3-ethenyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine has a molecular weight of 162.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine is sourced from PubChem (CID 68713716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).