4-bromo-6-(oxolan-2-yl)pyridazin-3-amine

C8H10BrN3O — CID 117105687

IUPAC4-bromo-6-(oxolan-2-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCCO2)cc1Br
InChIInChI=1S/C8H10BrN3O/c9-5-4-6(11-12-8(5)10)7-2-1-3-13-7/h4,7H,1-3H2,(H2,10,12)
InChIKeyJFOQYBLBJXGGIV-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.67
Rot. Bonds1

About 4-bromo-6-(oxolan-2-yl)pyridazin-3-amine

4-bromo-6-(oxolan-2-yl)pyridazin-3-amine (PubChem CID 117105687) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 4-bromo-6-(oxolan-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name4-bromo-6-(oxolan-2-yl)pyridazin-3-amine
PubChem CID117105687
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name4-bromo-6-(oxolan-2-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCCO2)cc1Br
InChIInChI=1S/C8H10BrN3O/c9-5-4-6(11-12-8(5)10)7-2-1-3-13-7/h4,7H,1-3H2,(H2,10,12)
InChIKeyJFOQYBLBJXGGIV-UHFFFAOYSA-N
XLogP1.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(oxolan-2-yl)pyridazin-3-amine?
The IUPAC name of 4-bromo-6-(oxolan-2-yl)pyridazin-3-amine (CID 117105687) is 4-bromo-6-(oxolan-2-yl)pyridazin-3-amine.
What is the SMILES notation for 4-bromo-6-(oxolan-2-yl)pyridazin-3-amine?
The canonical SMILES for 4-bromo-6-(oxolan-2-yl)pyridazin-3-amine is Nc1nnc(C2CCCO2)cc1Br.
What is the InChIKey of 4-bromo-6-(oxolan-2-yl)pyridazin-3-amine?
The InChIKey is JFOQYBLBJXGGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c9-5-4-6(11-12-8(5)10)7-2-1-3-13-7/h4,7H,1-3H2,(H2,10,12).
What are the key properties of 4-bromo-6-(oxolan-2-yl)pyridazin-3-amine?
4-bromo-6-(oxolan-2-yl)pyridazin-3-amine has a molecular weight of 244.09 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(oxolan-2-yl)pyridazin-3-amine is sourced from PubChem (CID 117105687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).