4-bromo-6-(methoxymethyl)pyridazin-3-amine

C6H8BrN3O — CID 117104947

IUPAC4-bromo-6-(methoxymethyl)pyridazin-3-amine
SMILESCOCc1cc(Br)c(N)nn1
InChIInChI=1S/C6H8BrN3O/c1-11-3-4-2-5(7)6(8)10-9-4/h2H,3H2,1H3,(H2,8,10)
InChIKeyVETYDACXWPAACW-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.97
Rot. Bonds2

About 4-bromo-6-(methoxymethyl)pyridazin-3-amine

4-bromo-6-(methoxymethyl)pyridazin-3-amine (PubChem CID 117104947) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 4-bromo-6-(methoxymethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-bromo-6-(methoxymethyl)pyridazin-3-amine
PubChem CID117104947
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name4-bromo-6-(methoxymethyl)pyridazin-3-amine
SMILESCOCc1cc(Br)c(N)nn1
InChIInChI=1S/C6H8BrN3O/c1-11-3-4-2-5(7)6(8)10-9-4/h2H,3H2,1H3,(H2,8,10)
InChIKeyVETYDACXWPAACW-UHFFFAOYSA-N
XLogP0.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Methoxymethyl)pyridazin-3-amine
CID 117104924
Ethyl 6-amino-5-bromopyridazine-3-carboxylate
CID 137939905
6-(1-Ethoxyethenyl)pyridazin-3-amine
CID 165464344
6-(Methoxymethyl)pyridazine-3,4-diamine
CID 117104931
4-Chloro-6-(methoxymethyl)pyridazin-3-amine
CID 117104939
(6-Amino-5-bromopyridazin-3-yl)methanol
CID 117104943
5-Bromo-3-(methoxymethyl)pyridazine
CID 117104946
4-Bromo-3-chloro-6-(methoxymethyl)pyridazine
CID 117104949
4-Bromo-6-(2-methoxyethyl)pyridazin-3-amine
CID 117104983
4-Bromo-6-(oxolan-2-yl)pyridazin-3-amine
CID 117105687
4-Bromo-6-(oxan-2-yl)pyridazin-3-amine
CID 117105823
3-Bromo-6-(1-ethoxyethenyl)pyridazine
CID 165465622

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(methoxymethyl)pyridazin-3-amine?
The IUPAC name of 4-bromo-6-(methoxymethyl)pyridazin-3-amine (CID 117104947) is 4-bromo-6-(methoxymethyl)pyridazin-3-amine.
What is the SMILES notation for 4-bromo-6-(methoxymethyl)pyridazin-3-amine?
The canonical SMILES for 4-bromo-6-(methoxymethyl)pyridazin-3-amine is COCc1cc(Br)c(N)nn1.
What is the InChIKey of 4-bromo-6-(methoxymethyl)pyridazin-3-amine?
The InChIKey is VETYDACXWPAACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-11-3-4-2-5(7)6(8)10-9-4/h2H,3H2,1H3,(H2,8,10).
What are the key properties of 4-bromo-6-(methoxymethyl)pyridazin-3-amine?
4-bromo-6-(methoxymethyl)pyridazin-3-amine has a molecular weight of 218.05 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(methoxymethyl)pyridazin-3-amine is sourced from PubChem (CID 117104947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).