6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one

C11H10BrN3O — CID 116788391

IUPAC6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one
SMILESNc1ccc(=O)n(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C11H10BrN3O/c12-9-3-1-8(2-4-9)7-15-11(16)6-5-10(13)14-15/h1-6H,7H2,(H2,13,14)
InChIKeyRFKVRSXEHGLLHJ-UHFFFAOYSA-N
MW280.12 g/mol
LogP1.64
Rot. Bonds2

About 6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one

6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one (PubChem CID 116788391) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one
PubChem CID116788391
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one
SMILESNc1ccc(=O)n(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C11H10BrN3O/c12-9-3-1-8(2-4-9)7-15-11(16)6-5-10(13)14-15/h1-6H,7H2,(H2,13,14)
InChIKeyRFKVRSXEHGLLHJ-UHFFFAOYSA-N
XLogP1.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one (CID 116788391) is 6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one is Nc1ccc(=O)n(Cc2ccc(Br)cc2)n1.
What is the InChIKey of 6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one?
The InChIKey is RFKVRSXEHGLLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-9-3-1-8(2-4-9)7-15-11(16)6-5-10(13)14-15/h1-6H,7H2,(H2,13,14).
What are the key properties of 6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one?
6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one has a molecular weight of 280.12 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 116788391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).