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

C12H11ClFN3O — CID 33287028

IUPAC4-chloro-5-[(4-fluorophenyl)methylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCc2ccc(F)cc2)c(Cl)c1=O
InChIInChI=1S/C12H11ClFN3O/c1-17-12(18)11(13)10(7-16-17)15-6-8-2-4-9(14)5-3-8/h2-5,7,15H,6H2,1H3
InChIKeyADXCIGXMTGZCKB-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.18
Rot. Bonds3

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

4-chloro-5-[(4-fluorophenyl)methylamino]-2-methylpyridazin-3-one (PubChem CID 33287028) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 4-chloro-5-[(4-fluorophenyl)methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(4-fluorophenyl)methylamino]-2-methylpyridazin-3-one
PubChem CID33287028
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name4-chloro-5-[(4-fluorophenyl)methylamino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCc2ccc(F)cc2)c(Cl)c1=O
InChIInChI=1S/C12H11ClFN3O/c1-17-12(18)11(13)10(7-16-17)15-6-8-2-4-9(14)5-3-8/h2-5,7,15H,6H2,1H3
InChIKeyADXCIGXMTGZCKB-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-fluorophenyl)methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(4-fluorophenyl)methylamino]-2-methylpyridazin-3-one (CID 33287028) is 4-chloro-5-[(4-fluorophenyl)methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(4-fluorophenyl)methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(4-fluorophenyl)methylamino]-2-methylpyridazin-3-one is Cn1ncc(NCc2ccc(F)cc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(4-fluorophenyl)methylamino]-2-methylpyridazin-3-one?
The InChIKey is ADXCIGXMTGZCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-17-12(18)11(13)10(7-16-17)15-6-8-2-4-9(14)5-3-8/h2-5,7,15H,6H2,1H3.
What are the key properties of 4-chloro-5-[(4-fluorophenyl)methylamino]-2-methylpyridazin-3-one?
4-chloro-5-[(4-fluorophenyl)methylamino]-2-methylpyridazin-3-one has a molecular weight of 267.69 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-fluorophenyl)methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 33287028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).