3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol

C13H12N4O — CID 52944340

IUPAC3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCNc1ccc2ncc(-c3cccc(O)c3)n2n1
InChIInChI=1S/C13H12N4O/c1-14-12-5-6-13-15-8-11(17(13)16-12)9-3-2-4-10(18)7-9/h2-8,18H,1H3,(H,14,16)
InChIKeyMUGLVLYHLQNKGW-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.14
Rot. Bonds2

About 3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol

3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 52944340) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID52944340
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCNc1ccc2ncc(-c3cccc(O)c3)n2n1
InChIInChI=1S/C13H12N4O/c1-14-12-5-6-13-15-8-11(17(13)16-12)9-3-2-4-10(18)7-9/h2-8,18H,1H3,(H,14,16)
InChIKeyMUGLVLYHLQNKGW-UHFFFAOYSA-N
XLogP2.14
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol (CID 52944340) is 3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol is CNc1ccc2ncc(-c3cccc(O)c3)n2n1.
What is the InChIKey of 3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is MUGLVLYHLQNKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-14-12-5-6-13-15-8-11(17(13)16-12)9-3-2-4-10(18)7-9/h2-8,18H,1H3,(H,14,16).
What are the key properties of 3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 240.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 52944340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).