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

C9H12BrN3O — CID 117105823

IUPAC4-bromo-6-(oxan-2-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCCCO2)cc1Br
InChIInChI=1S/C9H12BrN3O/c10-6-5-7(12-13-9(6)11)8-3-1-2-4-14-8/h5,8H,1-4H2,(H2,11,13)
InChIKeyOMFUMTFHUCRVMV-UHFFFAOYSA-N
MW258.12 g/mol
LogP2.06
Rot. Bonds1

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

4-bromo-6-(oxan-2-yl)pyridazin-3-amine (PubChem CID 117105823) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 4-bromo-6-(oxan-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name4-bromo-6-(oxan-2-yl)pyridazin-3-amine
PubChem CID117105823
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name4-bromo-6-(oxan-2-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCCCO2)cc1Br
InChIInChI=1S/C9H12BrN3O/c10-6-5-7(12-13-9(6)11)8-3-1-2-4-14-8/h5,8H,1-4H2,(H2,11,13)
InChIKeyOMFUMTFHUCRVMV-UHFFFAOYSA-N
XLogP2.06
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(oxan-2-yl)pyridazin-3-amine?
The IUPAC name of 4-bromo-6-(oxan-2-yl)pyridazin-3-amine (CID 117105823) is 4-bromo-6-(oxan-2-yl)pyridazin-3-amine.
What is the SMILES notation for 4-bromo-6-(oxan-2-yl)pyridazin-3-amine?
The canonical SMILES for 4-bromo-6-(oxan-2-yl)pyridazin-3-amine is Nc1nnc(C2CCCCO2)cc1Br.
What is the InChIKey of 4-bromo-6-(oxan-2-yl)pyridazin-3-amine?
The InChIKey is OMFUMTFHUCRVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c10-6-5-7(12-13-9(6)11)8-3-1-2-4-14-8/h5,8H,1-4H2,(H2,11,13).
What are the key properties of 4-bromo-6-(oxan-2-yl)pyridazin-3-amine?
4-bromo-6-(oxan-2-yl)pyridazin-3-amine has a molecular weight of 258.12 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(oxan-2-yl)pyridazin-3-amine is sourced from PubChem (CID 117105823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).