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

C12H11F2N3O — CID 103218479

IUPAC2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(Cc2cc(F)ccc2F)c(=O)c1
InChIInChI=1S/C12H11F2N3O/c1-15-10-5-12(18)17(16-6-10)7-8-4-9(13)2-3-11(8)14/h2-6,15H,7H2,1H3
InChIKeyKDHWALREPQXMFA-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.61
Rot. Bonds3

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

2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one (PubChem CID 103218479) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
PubChem CID103218479
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(Cc2cc(F)ccc2F)c(=O)c1
InChIInChI=1S/C12H11F2N3O/c1-15-10-5-12(18)17(16-6-10)7-8-4-9(13)2-3-11(8)14/h2-6,15H,7H2,1H3
InChIKeyKDHWALREPQXMFA-UHFFFAOYSA-N
XLogP1.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
5-(cyclobutylamino)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103220440
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
2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220063
2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
2-[(2-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223620
2-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103218527
5-(3-aminopropoxy)-2-[(2,5-difluorophenyl)methyl]pyridazin-3-one
CID 103223131
2-ethyl-5-(methylamino)pyridazin-3-one
CID 103218572
5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 103218535
5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one
CID 103218481

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one (CID 103218479) is 2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one is CNc1cnn(Cc2cc(F)ccc2F)c(=O)c1.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The InChIKey is KDHWALREPQXMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-15-10-5-12(18)17(16-6-10)7-8-4-9(13)2-3-11(8)14/h2-6,15H,7H2,1H3.
What are the key properties of 2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one has a molecular weight of 251.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).