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

C12H19N3O2 — CID 116973650

IUPAC2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol
SMILESCN(CCO)c1ccc(C2CCOCC2)nn1
InChIInChI=1S/C12H19N3O2/c1-15(6-7-16)12-3-2-11(13-14-12)10-4-8-17-9-5-10/h2-3,10,16H,4-9H2,1H3
InChIKeyIFIRLGFCHRPPQQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.80
Rot. Bonds4

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

2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol (PubChem CID 116973650) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol
PubChem CID116973650
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol
SMILESCN(CCO)c1ccc(C2CCOCC2)nn1
InChIInChI=1S/C12H19N3O2/c1-15(6-7-16)12-3-2-11(13-14-12)10-4-8-17-9-5-10/h2-3,10,16H,4-9H2,1H3
InChIKeyIFIRLGFCHRPPQQ-UHFFFAOYSA-N
XLogP0.80
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol (CID 116973650) is 2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol is CN(CCO)c1ccc(C2CCOCC2)nn1.
What is the InChIKey of 2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol?
The InChIKey is IFIRLGFCHRPPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(6-7-16)12-3-2-11(13-14-12)10-4-8-17-9-5-10/h2-3,10,16H,4-9H2,1H3.
What are the key properties of 2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol?
2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol has a molecular weight of 237.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol is sourced from PubChem (CID 116973650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).