2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol

C11H17N3O2 — CID 116971289

IUPAC2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol
SMILESOCCNc1ccc(C2CCOCC2)nn1
InChIInChI=1S/C11H17N3O2/c15-6-5-12-11-2-1-10(13-14-11)9-3-7-16-8-4-9/h1-2,9,15H,3-8H2,(H,12,14)
InChIKeyPESNIZDKEFETKG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.77
Rot. Bonds4

About 2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol

2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol (PubChem CID 116971289) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol
PubChem CID116971289
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol
SMILESOCCNc1ccc(C2CCOCC2)nn1
InChIInChI=1S/C11H17N3O2/c15-6-5-12-11-2-1-10(13-14-11)9-3-7-16-8-4-9/h1-2,9,15H,3-8H2,(H,12,14)
InChIKeyPESNIZDKEFETKG-UHFFFAOYSA-N
XLogP0.77
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol?
The IUPAC name of 2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol (CID 116971289) is 2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol is OCCNc1ccc(C2CCOCC2)nn1.
What is the InChIKey of 2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol?
The InChIKey is PESNIZDKEFETKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-6-5-12-11-2-1-10(13-14-11)9-3-7-16-8-4-9/h1-2,9,15H,3-8H2,(H,12,14).
What are the key properties of 2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol?
2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol has a molecular weight of 223.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol is sourced from PubChem (CID 116971289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).