[6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine

C12H17N5 — CID 116854561

IUPAC[6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine
SMILESCN1CCC(c2ccc3ncc(CN)n3n2)C1
InChIInChI=1S/C12H17N5/c1-16-5-4-9(8-16)11-2-3-12-14-7-10(6-13)17(12)15-11/h2-3,7,9H,4-6,8,13H2,1H3
InChIKeyHAORZBNOSDPHCS-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.61
Rot. Bonds2

About [6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine

[6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine (PubChem CID 116854561) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is [6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine
PubChem CID116854561
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name[6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine
SMILESCN1CCC(c2ccc3ncc(CN)n3n2)C1
InChIInChI=1S/C12H17N5/c1-16-5-4-9(8-16)11-2-3-12-14-7-10(6-13)17(12)15-11/h2-3,7,9H,4-6,8,13H2,1H3
InChIKeyHAORZBNOSDPHCS-UHFFFAOYSA-N
XLogP0.61
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-cyclopentylimidazo[1,2-b]pyridazin-3-yl)ethanamine
CID 116854597
[2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117128776
[6-(1-methylpiperidin-3-yl)imidazo[1,2-b]pyridazin-2-yl]methanamine
CID 116821666
2-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116821747
N-methyl-2-[6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-2-yl]ethanamine
CID 116821638
3-bromo-6-cyclopentylimidazo[1,2-b]pyridazine
CID 116854727
[1-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine
CID 116973044
2-[6-(oxan-4-yl)imidazo[1,2-b]pyridazin-3-yl]acetic acid
CID 116854629
[4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine
CID 116899105
3-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105038
2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine
CID 116898480
6-cyclobutylimidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854380

Frequently Asked Questions

What is the IUPAC name of [6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine?
The IUPAC name of [6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine (CID 116854561) is [6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine?
The canonical SMILES for [6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine is CN1CCC(c2ccc3ncc(CN)n3n2)C1.
What is the InChIKey of [6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine?
The InChIKey is HAORZBNOSDPHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16-5-4-9(8-16)11-2-3-12-14-7-10(6-13)17(12)15-11/h2-3,7,9H,4-6,8,13H2,1H3.
What are the key properties of [6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine?
[6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-3-yl]methanamine is sourced from PubChem (CID 116854561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).