(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone

C17H17N3O — CID 10333832

IUPAC(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone
SMILESCC(C)(C)c1cn2nc(C(=O)c3ccccc3)ccc2n1
InChIInChI=1S/C17H17N3O/c1-17(2,3)14-11-20-15(18-14)10-9-13(19-20)16(21)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyFWZRWOYBYJUVLU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.26
Rot. Bonds2

About (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone

(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone (PubChem CID 10333832) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone
PubChem CID10333832
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone
SMILESCC(C)(C)c1cn2nc(C(=O)c3ccccc3)ccc2n1
InChIInChI=1S/C17H17N3O/c1-17(2,3)14-11-20-15(18-14)10-9-13(19-20)16(21)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyFWZRWOYBYJUVLU-UHFFFAOYSA-N
XLogP3.26
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ocinaplon
CID 216456
Imidazopyridazin 1
CID 5459373
7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
4-[3-Azanyl-6-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]pyrazin-2-Yl]benzamide
CID 126480574
7-(5-Methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
CID 455577
7-(2-Chloroimidazo[1,5-b]pyridazin-7-yl)-1-heptanone
CID 455574
7-(2-Amino-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
CID 455580
7-[2-(Dimethylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455582
7-[5-Methyl-2-(1-pyrrolidinyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455583
7-[5-Methyl-2-(1-pyrrolyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455585
7-[2-(1,2,4-Triazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455587
7-[5-Methyl-2-(triazol-1-yl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one
CID 455588

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone?
The IUPAC name of (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone (CID 10333832) is (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone.
What is the SMILES notation for (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone?
The canonical SMILES for (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone is CC(C)(C)c1cn2nc(C(=O)c3ccccc3)ccc2n1.
What is the InChIKey of (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone?
The InChIKey is FWZRWOYBYJUVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-17(2,3)14-11-20-15(18-14)10-9-13(19-20)16(21)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone?
(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone has a molecular weight of 279.34 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone is sourced from PubChem (CID 10333832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).