N-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide

C13H17N5O — CID 135217262

IUPACN-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2ccnn3cc(C)nc23)C1
InChIInChI=1S/C13H17N5O/c1-9-7-18-13(15-9)12(3-5-14-18)17-6-4-11(8-17)16-10(2)19/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyLREATYCMFFXGLO-LLVKDONJSA-N
MW259.31 g/mol
LogP0.75
Rot. Bonds2

About N-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide

N-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide (PubChem CID 135217262) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide
PubChem CID135217262
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2ccnn3cc(C)nc23)C1
InChIInChI=1S/C13H17N5O/c1-9-7-18-13(15-9)12(3-5-14-18)17-6-4-11(8-17)16-10(2)19/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyLREATYCMFFXGLO-LLVKDONJSA-N
XLogP0.75
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide (CID 135217262) is N-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2ccnn3cc(C)nc23)C1.
What is the InChIKey of N-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is LREATYCMFFXGLO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-7-18-13(15-9)12(3-5-14-18)17-6-4-11(8-17)16-10(2)19/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,19)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide?
N-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-methylimidazo[1,2-b]pyridazin-8-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 135217262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).