N-[(6-bromopyridazin-3-yl)methyl]ethanamine

C7H10BrN3 — CID 163383302

IUPACN-[(6-bromopyridazin-3-yl)methyl]ethanamine
SMILESCCNCc1ccc(Br)nn1
InChIInChI=1S/C7H10BrN3/c1-2-9-5-6-3-4-7(8)11-10-6/h3-4,9H,2,5H2,1H3
InChIKeyVMRGBXMKNVREFX-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.35
Rot. Bonds3

About N-[(6-bromopyridazin-3-yl)methyl]ethanamine

N-[(6-bromopyridazin-3-yl)methyl]ethanamine (PubChem CID 163383302) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is N-[(6-bromopyridazin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-bromopyridazin-3-yl)methyl]ethanamine
PubChem CID163383302
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC NameN-[(6-bromopyridazin-3-yl)methyl]ethanamine
SMILESCCNCc1ccc(Br)nn1
InChIInChI=1S/C7H10BrN3/c1-2-9-5-6-3-4-7(8)11-10-6/h3-4,9H,2,5H2,1H3
InChIKeyVMRGBXMKNVREFX-UHFFFAOYSA-N
XLogP1.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromopyridazin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(6-bromopyridazin-3-yl)methyl]ethanamine (CID 163383302) is N-[(6-bromopyridazin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-bromopyridazin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-bromopyridazin-3-yl)methyl]ethanamine is CCNCc1ccc(Br)nn1.
What is the InChIKey of N-[(6-bromopyridazin-3-yl)methyl]ethanamine?
The InChIKey is VMRGBXMKNVREFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c1-2-9-5-6-3-4-7(8)11-10-6/h3-4,9H,2,5H2,1H3.
What are the key properties of N-[(6-bromopyridazin-3-yl)methyl]ethanamine?
N-[(6-bromopyridazin-3-yl)methyl]ethanamine has a molecular weight of 216.08 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromopyridazin-3-yl)methyl]ethanamine is sourced from PubChem (CID 163383302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).