N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine

C17H21N5O — CID 59453652

IUPACN-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)OCCCNc1ccc2ncc(-c3ccncc3)n2n1
InChIInChI=1S/C17H21N5O/c1-13(2)23-11-3-8-19-16-4-5-17-20-12-15(22(17)21-16)14-6-9-18-10-7-14/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,19,21)
InChIKeyWESOAWJUNSVZAF-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.02
Rot. Bonds7

About N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine

N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 59453652) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID59453652
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)OCCCNc1ccc2ncc(-c3ccncc3)n2n1
InChIInChI=1S/C17H21N5O/c1-13(2)23-11-3-8-19-16-4-5-17-20-12-15(22(17)21-16)14-6-9-18-10-7-14/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,19,21)
InChIKeyWESOAWJUNSVZAF-UHFFFAOYSA-N
XLogP3.02
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine (CID 59453652) is N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine is CC(C)OCCCNc1ccc2ncc(-c3ccncc3)n2n1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is WESOAWJUNSVZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13(2)23-11-3-8-19-16-4-5-17-20-12-15(22(17)21-16)14-6-9-18-10-7-14/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,19,21).
What are the key properties of N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 311.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 59453652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).