4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine

C12H18BrN3O — CID 117105528

IUPAC4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine
SMILESCOc1nnc(CC2CCN(C)CC2)cc1Br
InChIInChI=1S/C12H18BrN3O/c1-16-5-3-9(4-6-16)7-10-8-11(13)12(17-2)15-14-10/h8-9H,3-7H2,1-2H3
InChIKeyUCWPCLVUOZOKPP-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.13
Rot. Bonds3

About 4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine

4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine (PubChem CID 117105528) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine.

Molecular Properties

Compound Name4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine
PubChem CID117105528
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine
SMILESCOc1nnc(CC2CCN(C)CC2)cc1Br
InChIInChI=1S/C12H18BrN3O/c1-16-5-3-9(4-6-16)7-10-8-11(13)12(17-2)15-14-10/h8-9H,3-7H2,1-2H3
InChIKeyUCWPCLVUOZOKPP-UHFFFAOYSA-N
XLogP2.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine?
The IUPAC name of 4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine (CID 117105528) is 4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine.
What is the SMILES notation for 4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine?
The canonical SMILES for 4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine is COc1nnc(CC2CCN(C)CC2)cc1Br.
What is the InChIKey of 4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine?
The InChIKey is UCWPCLVUOZOKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-16-5-3-9(4-6-16)7-10-8-11(13)12(17-2)15-14-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine?
4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine has a molecular weight of 300.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-6-[(1-methylpiperidin-4-yl)methyl]pyridazine is sourced from PubChem (CID 117105528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).