2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one

C12H11ClFN3O — CID 103218654

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(Cc2ccc(F)c(Cl)c2)c(=O)c1
InChIInChI=1S/C12H11ClFN3O/c1-15-9-5-12(18)17(16-6-9)7-8-2-3-11(14)10(13)4-8/h2-6,15H,7H2,1H3
InChIKeyCUEATGPWHPWYFW-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.13
Rot. Bonds3

About 2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one

2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one (PubChem CID 103218654) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
PubChem CID103218654
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(Cc2ccc(F)c(Cl)c2)c(=O)c1
InChIInChI=1S/C12H11ClFN3O/c1-15-9-5-12(18)17(16-6-9)7-8-2-3-11(14)10(13)4-8/h2-6,15H,7H2,1H3
InChIKeyCUEATGPWHPWYFW-UHFFFAOYSA-N
XLogP2.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223669
2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one
CID 103219913
5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 103218535
2-[(2,5-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218479
2-[(3,4-difluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223667
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218557
5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 103218930
2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218695
2-ethyl-5-(methylamino)pyridazin-3-one
CID 103218572
3-chloro-4-[[4-(methylamino)-6-oxopyridazin-1-yl]methyl]benzamide
CID 103218655
5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one
CID 107894341

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one (CID 103218654) is 2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one is CNc1cnn(Cc2ccc(F)c(Cl)c2)c(=O)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
The InChIKey is CUEATGPWHPWYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-15-9-5-12(18)17(16-6-9)7-8-2-3-11(14)10(13)4-8/h2-6,15H,7H2,1H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one?
2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one has a molecular weight of 267.69 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).