2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

C17H20N4O2 — CID 126473469

IUPAC2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(-c3ccccc3CO)n2n1
InChIInChI=1S/C17H20N4O2/c1-2-13(11-23)19-16-7-8-17-18-9-15(21(17)20-16)14-6-4-3-5-12(14)10-22/h3-9,13,22-23H,2,10-11H2,1H3,(H,19,20)
InChIKeyPIBISIAQWGDQOT-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.07
Rot. Bonds6

About 2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (PubChem CID 126473469) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
PubChem CID126473469
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(-c3ccccc3CO)n2n1
InChIInChI=1S/C17H20N4O2/c1-2-13(11-23)19-16-7-8-17-18-9-15(21(17)20-16)14-6-4-3-5-12(14)10-22/h3-9,13,22-23H,2,10-11H2,1H3,(H,19,20)
InChIKeyPIBISIAQWGDQOT-UHFFFAOYSA-N
XLogP2.07
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The IUPAC name of 2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (CID 126473469) is 2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is CCC(CO)Nc1ccc2ncc(-c3ccccc3CO)n2n1.
What is the InChIKey of 2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The InChIKey is PIBISIAQWGDQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-13(11-23)19-16-7-8-17-18-9-15(21(17)20-16)14-6-4-3-5-12(14)10-22/h3-9,13,22-23H,2,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol has a molecular weight of 312.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is sourced from PubChem (CID 126473469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).