3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine

C11H13N5 — CID 178023888

IUPAC3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCC(N)CC#Cc1cnc2c(N)ccnn12
InChIInChI=1S/C11H13N5/c1-8(12)3-2-4-9-7-14-11-10(13)5-6-15-16(9)11/h5-8H,3,12-13H2,1H3
InChIKeyZCZIRNGGJNYQCA-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.40
Rot. Bonds1

About 3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine

3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 178023888) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID178023888
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCC(N)CC#Cc1cnc2c(N)ccnn12
InChIInChI=1S/C11H13N5/c1-8(12)3-2-4-9-7-14-11-10(13)5-6-15-16(9)11/h5-8H,3,12-13H2,1H3
InChIKeyZCZIRNGGJNYQCA-UHFFFAOYSA-N
XLogP0.40
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine (CID 178023888) is 3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine is CC(N)CC#Cc1cnc2c(N)ccnn12.
What is the InChIKey of 3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is ZCZIRNGGJNYQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-8(12)3-2-4-9-7-14-11-10(13)5-6-15-16(9)11/h5-8H,3,12-13H2,1H3.
What are the key properties of 3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine?
3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 215.26 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopent-1-ynyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 178023888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).