2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one

C15H16BrN3O — CID 103220543

IUPAC2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1Cc1cccc(Br)c1
InChIInChI=1S/C15H16BrN3O/c16-12-4-1-3-11(7-12)10-19-15(20)8-14(9-17-19)18-13-5-2-6-13/h1,3-4,7-9,13,18H,2,5-6,10H2
InChIKeyVZDBSWJZVWWRQA-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.02
Rot. Bonds4

About 2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one

2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one (PubChem CID 103220543) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
PubChem CID103220543
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1Cc1cccc(Br)c1
InChIInChI=1S/C15H16BrN3O/c16-12-4-1-3-11(7-12)10-19-15(20)8-14(9-17-19)18-13-5-2-6-13/h1,3-4,7-9,13,18H,2,5-6,10H2
InChIKeyVZDBSWJZVWWRQA-UHFFFAOYSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220548
2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218557
2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220665
2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 103221567
2-[(3-bromophenyl)methyl]-5-iodopyridazin-3-one
CID 114553473
5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103220440
5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
CID 103220632
5-(cyclobutylamino)-2-[(2,4-dichlorophenyl)methyl]pyridazin-3-one
CID 103220558
2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one
CID 103219913
5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
CID 103220663
5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one
CID 103219917
5-(cyclobutylamino)-2-nonylpyridazin-3-one
CID 103220396

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one?
The IUPAC name of 2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one (CID 103220543) is 2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one is O=c1cc(NC2CCC2)cnn1Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one?
The InChIKey is VZDBSWJZVWWRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-12-4-1-3-11(7-12)10-19-15(20)8-14(9-17-19)18-13-5-2-6-13/h1,3-4,7-9,13,18H,2,5-6,10H2.
What are the key properties of 2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one?
2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one has a molecular weight of 334.22 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one is sourced from PubChem (CID 103220543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).