3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine

C16H14BrN3 — CID 116854950

IUPAC3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(-c3ccc4c(c3)CCC4)nn2c1Br
InChIInChI=1S/C16H14BrN3/c1-10-16(17)20-15(18-10)8-7-14(19-20)13-6-5-11-3-2-4-12(11)9-13/h5-9H,2-4H2,1H3
InChIKeyZYWFUGRESWDGIH-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.96
Rot. Bonds1

About 3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine

3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine (PubChem CID 116854950) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine
PubChem CID116854950
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(-c3ccc4c(c3)CCC4)nn2c1Br
InChIInChI=1S/C16H14BrN3/c1-10-16(17)20-15(18-10)8-7-14(19-20)13-6-5-11-3-2-4-12(11)9-13/h5-9H,2-4H2,1H3
InChIKeyZYWFUGRESWDGIH-UHFFFAOYSA-N
XLogP3.96
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine (CID 116854950) is 3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine is Cc1nc2ccc(-c3ccc4c(c3)CCC4)nn2c1Br.
What is the InChIKey of 3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine?
The InChIKey is ZYWFUGRESWDGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-10-16(17)20-15(18-10)8-7-14(19-20)13-6-5-11-3-2-4-12(11)9-13/h5-9H,2-4H2,1H3.
What are the key properties of 3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine?
3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine has a molecular weight of 328.21 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 116854950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).