4-(2H-pyran-2-yl)pyridazine

C9H8N2O — CID 138520812

IUPAC4-(2H-pyran-2-yl)pyridazine
SMILESC1=COC(c2ccnnc2)C=C1
InChIInChI=1S/C9H8N2O/c1-2-6-12-9(3-1)8-4-5-10-11-7-8/h1-7,9H
InChIKeyNONYRLWFTFIQMY-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.62
Rot. Bonds1

About 4-(2H-pyran-2-yl)pyridazine

4-(2H-pyran-2-yl)pyridazine (PubChem CID 138520812) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-(2H-pyran-2-yl)pyridazine.

Molecular Properties

Compound Name4-(2H-pyran-2-yl)pyridazine
PubChem CID138520812
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-(2H-pyran-2-yl)pyridazine
SMILESC1=COC(c2ccnnc2)C=C1
InChIInChI=1S/C9H8N2O/c1-2-6-12-9(3-1)8-4-5-10-11-7-8/h1-7,9H
InChIKeyNONYRLWFTFIQMY-UHFFFAOYSA-N
XLogP1.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-pyran-2-yl)pyridazine?
The IUPAC name of 4-(2H-pyran-2-yl)pyridazine (CID 138520812) is 4-(2H-pyran-2-yl)pyridazine.
What is the SMILES notation for 4-(2H-pyran-2-yl)pyridazine?
The canonical SMILES for 4-(2H-pyran-2-yl)pyridazine is C1=COC(c2ccnnc2)C=C1.
What is the InChIKey of 4-(2H-pyran-2-yl)pyridazine?
The InChIKey is NONYRLWFTFIQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-2-6-12-9(3-1)8-4-5-10-11-7-8/h1-7,9H.
What are the key properties of 4-(2H-pyran-2-yl)pyridazine?
4-(2H-pyran-2-yl)pyridazine has a molecular weight of 160.18 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-pyran-2-yl)pyridazine is sourced from PubChem (CID 138520812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).