3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine

C15H18N6O — CID 58857795

IUPAC3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCn1cc(-c2cnc3ccc(NC4CCOCC4)nn23)cn1
InChIInChI=1S/C15H18N6O/c1-20-10-11(8-17-20)13-9-16-15-3-2-14(19-21(13)15)18-12-4-6-22-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H,18,19)
InChIKeyYZZNGTYCXIPPKV-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.72
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine

3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857795) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857795
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCn1cc(-c2cnc3ccc(NC4CCOCC4)nn23)cn1
InChIInChI=1S/C15H18N6O/c1-20-10-11(8-17-20)13-9-16-15-3-2-14(19-21(13)15)18-12-4-6-22-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H,18,19)
InChIKeyYZZNGTYCXIPPKV-UHFFFAOYSA-N
XLogP1.72
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 58857795) is 3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is Cn1cc(-c2cnc3ccc(NC4CCOCC4)nn23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is YZZNGTYCXIPPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-20-10-11(8-17-20)13-9-16-15-3-2-14(19-21(13)15)18-12-4-6-22-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H,18,19).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 298.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).