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

C12H12BrN3O — CID 103218557

IUPAC2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(Cc2cccc(Br)c2)c(=O)c1
InChIInChI=1S/C12H12BrN3O/c1-14-11-6-12(17)16(15-7-11)8-9-3-2-4-10(13)5-9/h2-7,14H,8H2,1H3
InChIKeyCRPFIAWPHQBPDI-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.10
Rot. Bonds3

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

2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one (PubChem CID 103218557) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one
PubChem CID103218557
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(Cc2cccc(Br)c2)c(=O)c1
InChIInChI=1S/C12H12BrN3O/c1-14-11-6-12(17)16(15-7-11)8-9-3-2-4-10(13)5-9/h2-7,14H,8H2,1H3
InChIKeyCRPFIAWPHQBPDI-UHFFFAOYSA-N
XLogP2.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 103221567
2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220543
2-[(3-bromophenyl)methyl]-5-iodopyridazin-3-one
CID 114553473
2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218695
2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218654
5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 103218535
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
2-ethyl-5-(methylamino)pyridazin-3-one
CID 103218572
2-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103218527
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218474
2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218479
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218806

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one (CID 103218557) is 2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one is CNc1cnn(Cc2cccc(Br)c2)c(=O)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The InChIKey is CRPFIAWPHQBPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-14-11-6-12(17)16(15-7-11)8-9-3-2-4-10(13)5-9/h2-7,14H,8H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one?
2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one has a molecular weight of 294.15 g/mol, XLogP of 2.10, 3 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-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).