5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one

C9H10BrN5O — CID 115576990

IUPAC5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCn2ccnc2)c1Br
InChIInChI=1S/C9H10BrN5O/c10-8-7(5-13-14-9(8)16)12-2-4-15-3-1-11-6-15/h1,3,5-6H,2,4H2,(H2,12,14,16)
InChIKeyQPYAUBJCGJENKH-UHFFFAOYSA-N
MW284.12 g/mol
LogP0.84
Rot. Bonds4

About 5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one

5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one (PubChem CID 115576990) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is 5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one
PubChem CID115576990
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCn2ccnc2)c1Br
InChIInChI=1S/C9H10BrN5O/c10-8-7(5-13-14-9(8)16)12-2-4-15-3-1-11-6-15/h1,3,5-6H,2,4H2,(H2,12,14,16)
InChIKeyQPYAUBJCGJENKH-UHFFFAOYSA-N
XLogP0.84
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one
CID 78913344
5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one
CID 115579247
4-bromo-5-(2-imidazol-1-ylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114435124
N-[2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]ethyl]methanesulfonamide
CID 114385927
5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one
CID 136974702
5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one
CID 106405015
4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one
CID 114392088
4-bromo-1-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61324281
2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one
CID 57153179
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
5-bromo-3-fluoro-N-(2-imidazol-1-ylethyl)pyridin-2-amine
CID 104923734
5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one
CID 114386132

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one (CID 115576990) is 5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one is O=c1[nH]ncc(NCCn2ccnc2)c1Br.
What is the InChIKey of 5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one?
The InChIKey is QPYAUBJCGJENKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c10-8-7(5-13-14-9(8)16)12-2-4-15-3-1-11-6-15/h1,3,5-6H,2,4H2,(H2,12,14,16).
What are the key properties of 5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one?
5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one has a molecular weight of 284.12 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 115576990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).