(2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol

C10H13BrN4O — CID 170170838

IUPAC(2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ccc2ncc(Br)n2n1
InChIInChI=1S/C10H13BrN4O/c1-2-7(6-16)13-9-3-4-10-12-5-8(11)15(10)14-9/h3-5,7,16H,2,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyYNGBSHSSRVXLNT-ZETCQYMHSA-N
MW285.14 g/mol
LogP1.67
Rot. Bonds4

About (2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol

(2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol (PubChem CID 170170838) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is (2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
PubChem CID170170838
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name(2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ccc2ncc(Br)n2n1
InChIInChI=1S/C10H13BrN4O/c1-2-7(6-16)13-9-3-4-10-12-5-8(11)15(10)14-9/h3-5,7,16H,2,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyYNGBSHSSRVXLNT-ZETCQYMHSA-N
XLogP1.67
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol (CID 170170838) is (2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol is CC[C@@H](CO)Nc1ccc2ncc(Br)n2n1.
What is the InChIKey of (2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
The InChIKey is YNGBSHSSRVXLNT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-2-7(6-16)13-9-3-4-10-12-5-8(11)15(10)14-9/h3-5,7,16H,2,6H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol?
(2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol has a molecular weight of 285.14 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol is sourced from PubChem (CID 170170838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).