6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one

C15H12BrN5O — CID 86074880

IUPAC6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one
SMILESCn1nc(-c2nc(Br)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C15H12BrN5O/c1-21-11(22)8-7-10(20-21)13-12(9-5-3-2-4-6-9)19-15(17)14(16)18-13/h2-8H,1H3,(H2,17,19)
InChIKeyYREBILBYIKAJKX-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.25
Rot. Bonds2

About 6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one

6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one (PubChem CID 86074880) has the molecular formula C15H12BrN5O and a molecular weight of 358.20 g/mol. Its IUPAC name is 6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one
PubChem CID86074880
Molecular FormulaC15H12BrN5O
Molecular Weight358.20 g/mol
Exact Mass357.02
IUPAC Name6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one
SMILESCn1nc(-c2nc(Br)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C15H12BrN5O/c1-21-11(22)8-7-10(20-21)13-12(9-5-3-2-4-6-9)19-15(17)14(16)18-13/h2-8H,1H3,(H2,17,19)
InChIKeyYREBILBYIKAJKX-UHFFFAOYSA-N
XLogP2.25
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one (CID 86074880) is 6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one is Cn1nc(-c2nc(Br)c(N)nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one?
The InChIKey is YREBILBYIKAJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O/c1-21-11(22)8-7-10(20-21)13-12(9-5-3-2-4-6-9)19-15(17)14(16)18-13/h2-8H,1H3,(H2,17,19).
What are the key properties of 6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one?
6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one has a molecular weight of 358.20 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one is sourced from PubChem (CID 86074880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).