2-pyridazin-4-ylmorpholine

C8H11N3O — CID 54074474

IUPAC2-pyridazin-4-ylmorpholine
SMILESc1cc(C2CNCCO2)cnn1
InChIInChI=1S/C8H11N3O/c1-2-10-11-5-7(1)8-6-9-3-4-12-8/h1-2,5,8-9H,3-4,6H2
InChIKeyQZHKUFGUKIRWFP-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.14
Rot. Bonds1

About 2-pyridazin-4-ylmorpholine

2-pyridazin-4-ylmorpholine (PubChem CID 54074474) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-pyridazin-4-ylmorpholine.

Molecular Properties

Compound Name2-pyridazin-4-ylmorpholine
PubChem CID54074474
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-pyridazin-4-ylmorpholine
SMILESc1cc(C2CNCCO2)cnn1
InChIInChI=1S/C8H11N3O/c1-2-10-11-5-7(1)8-6-9-3-4-12-8/h1-2,5,8-9H,3-4,6H2
InChIKeyQZHKUFGUKIRWFP-UHFFFAOYSA-N
XLogP0.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-4-ylmorpholine?
The IUPAC name of 2-pyridazin-4-ylmorpholine (CID 54074474) is 2-pyridazin-4-ylmorpholine.
What is the SMILES notation for 2-pyridazin-4-ylmorpholine?
The canonical SMILES for 2-pyridazin-4-ylmorpholine is c1cc(C2CNCCO2)cnn1.
What is the InChIKey of 2-pyridazin-4-ylmorpholine?
The InChIKey is QZHKUFGUKIRWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-10-11-5-7(1)8-6-9-3-4-12-8/h1-2,5,8-9H,3-4,6H2.
What are the key properties of 2-pyridazin-4-ylmorpholine?
2-pyridazin-4-ylmorpholine has a molecular weight of 165.20 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-4-ylmorpholine is sourced from PubChem (CID 54074474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).