6-amino-4,5-dibromo-2-methylpyridazin-3-one

C5H5Br2N3O — CID 170978635

IUPAC6-amino-4,5-dibromo-2-methylpyridazin-3-one
SMILESCn1nc(N)c(Br)c(Br)c1=O
InChIInChI=1S/C5H5Br2N3O/c1-10-5(11)3(7)2(6)4(8)9-10/h1H3,(H2,8,9)
InChIKeyRWTSNCWXQLMUON-UHFFFAOYSA-N
MW282.92 g/mol
LogP0.89
Rot. Bonds

About 6-amino-4,5-dibromo-2-methylpyridazin-3-one

6-amino-4,5-dibromo-2-methylpyridazin-3-one (PubChem CID 170978635) has the molecular formula C5H5Br2N3O and a molecular weight of 282.92 g/mol. Its IUPAC name is 6-amino-4,5-dibromo-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-amino-4,5-dibromo-2-methylpyridazin-3-one
PubChem CID170978635
Molecular FormulaC5H5Br2N3O
Molecular Weight282.92 g/mol
Exact Mass280.88
IUPAC Name6-amino-4,5-dibromo-2-methylpyridazin-3-one
SMILESCn1nc(N)c(Br)c(Br)c1=O
InChIInChI=1S/C5H5Br2N3O/c1-10-5(11)3(7)2(6)4(8)9-10/h1H3,(H2,8,9)
InChIKeyRWTSNCWXQLMUON-UHFFFAOYSA-N
XLogP0.89
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.92
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine
CID 83910403
5-acetyl-4-amino-2,6-dimethylpyridazin-3-one
CID 3824593
4-bromo-3-N,1-dimethylpyrazole-3,5-diamine
CID 83867118
6-bromo-1-methylindazol-3-amine
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CID 84677979

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,5-dibromo-2-methylpyridazin-3-one?
The IUPAC name of 6-amino-4,5-dibromo-2-methylpyridazin-3-one (CID 170978635) is 6-amino-4,5-dibromo-2-methylpyridazin-3-one.
What is the SMILES notation for 6-amino-4,5-dibromo-2-methylpyridazin-3-one?
The canonical SMILES for 6-amino-4,5-dibromo-2-methylpyridazin-3-one is Cn1nc(N)c(Br)c(Br)c1=O.
What is the InChIKey of 6-amino-4,5-dibromo-2-methylpyridazin-3-one?
The InChIKey is RWTSNCWXQLMUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2N3O/c1-10-5(11)3(7)2(6)4(8)9-10/h1H3,(H2,8,9).
What are the key properties of 6-amino-4,5-dibromo-2-methylpyridazin-3-one?
6-amino-4,5-dibromo-2-methylpyridazin-3-one has a molecular weight of 282.92 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,5-dibromo-2-methylpyridazin-3-one is sourced from PubChem (CID 170978635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).