2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid

C13H16N4O2 — CID 116821747

IUPAC2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESCc1nc2ccc(C3CCN(C)C3)nn2c1C(=O)O
InChIInChI=1S/C13H16N4O2/c1-8-12(13(18)19)17-11(14-8)4-3-10(15-17)9-5-6-16(2)7-9/h3-4,9H,5-7H2,1-2H3,(H,18,19)
InChIKeyVTLGALZYVFESHU-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.16
Rot. Bonds2

About 2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid

2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 116821747) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID116821747
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESCc1nc2ccc(C3CCN(C)C3)nn2c1C(=O)O
InChIInChI=1S/C13H16N4O2/c1-8-12(13(18)19)17-11(14-8)4-3-10(15-17)9-5-6-16(2)7-9/h3-4,9H,5-7H2,1-2H3,(H,18,19)
InChIKeyVTLGALZYVFESHU-UHFFFAOYSA-N
XLogP1.16
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid (CID 116821747) is 2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid is Cc1nc2ccc(C3CCN(C)C3)nn2c1C(=O)O.
What is the InChIKey of 2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is VTLGALZYVFESHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-12(13(18)19)17-11(14-8)4-3-10(15-17)9-5-6-16(2)7-9/h3-4,9H,5-7H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid?
2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 116821747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).