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

C9H12N2O — CID 145497403

IUPAC3-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine
SMILESCCc1cc2c(nn1)CCOC2
InChIInChI=1S/C9H12N2O/c1-2-8-5-7-6-12-4-3-9(7)11-10-8/h5H,2-4,6H2,1H3
InChIKeyKXIAJNYMRYUTOJ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.11
Rot. Bonds1

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

3-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine (PubChem CID 145497403) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine.

Molecular Properties

Compound Name3-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine
PubChem CID145497403
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine
SMILESCCc1cc2c(nn1)CCOC2
InChIInChI=1S/C9H12N2O/c1-2-8-5-7-6-12-4-3-9(7)11-10-8/h5H,2-4,6H2,1H3
InChIKeyKXIAJNYMRYUTOJ-UHFFFAOYSA-N
XLogP1.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine?
The IUPAC name of 3-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine (CID 145497403) is 3-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine.
What is the SMILES notation for 3-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine?
The canonical SMILES for 3-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine is CCc1cc2c(nn1)CCOC2.
What is the InChIKey of 3-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine?
The InChIKey is KXIAJNYMRYUTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-8-5-7-6-12-4-3-9(7)11-10-8/h5H,2-4,6H2,1H3.
What are the key properties of 3-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine?
3-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine has a molecular weight of 164.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazine is sourced from PubChem (CID 145497403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).