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

C12H12FN3O — CID 103218493

IUPAC2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(Cc2ccccc2F)c(=O)c1
InChIInChI=1S/C12H12FN3O/c1-14-10-6-12(17)16(15-7-10)8-9-4-2-3-5-11(9)13/h2-7,14H,8H2,1H3
InChIKeyWTNHBTBGVUXUIQ-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.47
Rot. Bonds3

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

2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one (PubChem CID 103218493) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
PubChem CID103218493
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(Cc2ccccc2F)c(=O)c1
InChIInChI=1S/C12H12FN3O/c1-14-10-6-12(17)16(15-7-10)8-9-4-2-3-5-11(9)13/h2-7,14H,8H2,1H3
InChIKeyWTNHBTBGVUXUIQ-UHFFFAOYSA-N
XLogP1.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218695
2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218479
2-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103218527
5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one
CID 103218481
2-[(2-bromo-3-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223694
2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218654
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
2-ethyl-5-(methylamino)pyridazin-3-one
CID 103218572
5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 103218535
5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968
2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103223592

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one (CID 103218493) is 2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one is CNc1cnn(Cc2ccccc2F)c(=O)c1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The InChIKey is WTNHBTBGVUXUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-14-10-6-12(17)16(15-7-10)8-9-4-2-3-5-11(9)13/h2-7,14H,8H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one has a molecular weight of 233.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).