3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine

C11H16BrN3 — CID 106550760

IUPAC3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine
SMILESCc1cnnc(N2CCC(C)C(Br)C2)c1
InChIInChI=1S/C11H16BrN3/c1-8-5-11(14-13-6-8)15-4-3-9(2)10(12)7-15/h5-6,9-10H,3-4,7H2,1-2H3
InChIKeyMBWXNUWYHKCOKG-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.39
Rot. Bonds1

About 3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine

3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine (PubChem CID 106550760) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine.

Molecular Properties

Compound Name3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine
PubChem CID106550760
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine
SMILESCc1cnnc(N2CCC(C)C(Br)C2)c1
InChIInChI=1S/C11H16BrN3/c1-8-5-11(14-13-6-8)15-4-3-9(2)10(12)7-15/h5-6,9-10H,3-4,7H2,1-2H3
InChIKeyMBWXNUWYHKCOKG-UHFFFAOYSA-N
XLogP2.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine?
The IUPAC name of 3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine (CID 106550760) is 3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine.
What is the SMILES notation for 3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine?
The canonical SMILES for 3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine is Cc1cnnc(N2CCC(C)C(Br)C2)c1.
What is the InChIKey of 3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine?
The InChIKey is MBWXNUWYHKCOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8-5-11(14-13-6-8)15-4-3-9(2)10(12)7-15/h5-6,9-10H,3-4,7H2,1-2H3.
What are the key properties of 3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine?
3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine has a molecular weight of 270.17 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methylpiperidin-1-yl)-5-methylpyridazine is sourced from PubChem (CID 106550760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).