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

C15H15BrFN3O — CID 103220665

IUPAC2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1Cc1cccc(F)c1Br
InChIInChI=1S/C15H15BrFN3O/c16-15-10(3-1-6-13(15)17)9-20-14(21)7-12(8-18-20)19-11-4-2-5-11/h1,3,6-8,11,19H,2,4-5,9H2
InChIKeyZNLCVOKSEWHCRB-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.16
Rot. Bonds4

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

2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one (PubChem CID 103220665) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
PubChem CID103220665
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1Cc1cccc(F)c1Br
InChIInChI=1S/C15H15BrFN3O/c16-15-10(3-1-6-13(15)17)9-20-14(21)7-12(8-18-20)19-11-4-2-5-11/h1,3,6-8,11,19H,2,4-5,9H2
InChIKeyZNLCVOKSEWHCRB-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218695
5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103220440
2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220543
2-[(2-bromo-3-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223694
5-(cyclobutylamino)-2-[(2,4-dichlorophenyl)methyl]pyridazin-3-one
CID 103220558
2-[(3-chlorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220548
2-[[4-(cyclopropylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 103219751
5-(cyclobutylamino)-2-(cyclopentylmethyl)pyridazin-3-one
CID 103220561
5-(cyclobutylamino)-2-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-one
CID 103220632
2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one
CID 103219913
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
CID 103220663

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one?
The IUPAC name of 2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one (CID 103220665) is 2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one?
The canonical SMILES for 2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one is O=c1cc(NC2CCC2)cnn1Cc1cccc(F)c1Br.
What is the InChIKey of 2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one?
The InChIKey is ZNLCVOKSEWHCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c16-15-10(3-1-6-13(15)17)9-20-14(21)7-12(8-18-20)19-11-4-2-5-11/h1,3,6-8,11,19H,2,4-5,9H2.
What are the key properties of 2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one?
2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one has a molecular weight of 352.21 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one is sourced from PubChem (CID 103220665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).